Home Carboxys 4-[(carbamoylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(carbamoylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

CAS No.:
1042623-69-7
Catalog Number:
AG01AKY0
Molecular Formula:
C7H9N3O5S
Molecular Weight:
247.2285
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Product Description
Catalog Number:
AG01AKY0
Chemical Name:
4-[(carbamoylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CAS Number:
1042623-69-7
Molecular Formula:
C7H9N3O5S
Molecular Weight:
247.2285
MDL Number:
MFCD11167868
IUPAC Name:
4-[(2-amino-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C7H9N3O5S/c8-6(11)3-10-16(14,15)4-1-5(7(12)13)9-2-4/h1-2,9-10H,3H2,(H2,8,11)(H,12,13)
InChI Key:
DCSBSJMOHRNRCR-UHFFFAOYSA-N
SMILES:
NC(=O)CNS(=O)(=O)c1c[nH]c(c1)C(=O)O
Properties
Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.026g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
247.225g/mol
Monoisotopic Mass:
247.026g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  
Properties