2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid

C11H11N3O4S — CID 82880941

IUPAC2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NS(=O)(=O)c2cccnc2)c1C(=O)O
InChIInChI=1S/C11H11N3O4S/c1-7-10(11(15)16)9(6-13-7)14-19(17,18)8-3-2-4-12-5-8/h2-6,13-14H,1H3,(H,15,16)
InChIKeyMLZOAUGRCMMLGM-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.22
Rot. Bonds4

About 2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid

2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid (PubChem CID 82880941) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid
PubChem CID82880941
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NS(=O)(=O)c2cccnc2)c1C(=O)O
InChIInChI=1S/C11H11N3O4S/c1-7-10(11(15)16)9(6-13-7)14-19(17,18)8-3-2-4-12-5-8/h2-6,13-14H,1H3,(H,15,16)
InChIKeyMLZOAUGRCMMLGM-UHFFFAOYSA-N
XLogP1.22
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877622
4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877469
4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid
CID 24709903
2-methyl-4-[(2-pyridin-3-ylacetyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82881481
3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid
CID 43443006
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881181
4-[(2,4-difluorophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877741
3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide
CID 56807069
methyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate
CID 25038996
N-(4-amino-2-methylphenyl)pyridine-3-sulfonamide
CID 24696951
N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide
CID 3865818
N-(2-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 110865788

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid (CID 82880941) is 2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid is Cc1[nH]cc(NS(=O)(=O)c2cccnc2)c1C(=O)O.
What is the InChIKey of 2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid?
The InChIKey is MLZOAUGRCMMLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-7-10(11(15)16)9(6-13-7)14-19(17,18)8-3-2-4-12-5-8/h2-6,13-14H,1H3,(H,15,16).
What are the key properties of 2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid?
2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid has a molecular weight of 281.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82880941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).