4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C10H8ClN3O4S — CID 43361749

IUPAC4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccnc2Cl)c[nH]1
InChIInChI=1S/C10H8ClN3O4S/c11-9-7(2-1-3-12-9)14-19(17,18)6-4-8(10(15)16)13-5-6/h1-5,13-14H,(H,15,16)
InChIKeyYHIGXLIUKMWETP-UHFFFAOYSA-N
MW301.71 g/mol
LogP1.56
Rot. Bonds4

About 4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 43361749) has the molecular formula C10H8ClN3O4S and a molecular weight of 301.71 g/mol. Its IUPAC name is 4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID43361749
Molecular FormulaC10H8ClN3O4S
Molecular Weight301.71 g/mol
Exact Mass300.99
IUPAC Name4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccnc2Cl)c[nH]1
InChIInChI=1S/C10H8ClN3O4S/c11-9-7(2-1-3-12-9)14-19(17,18)6-4-8(10(15)16)13-5-6/h1-5,13-14H,(H,15,16)
InChIKeyYHIGXLIUKMWETP-UHFFFAOYSA-N
XLogP1.56
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.71
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid
CID 103710289
4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61403971
5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid
CID 43237867
4-[(2-chloro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43245095
4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide
CID 4994113
N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 2169091
4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 63672039
4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43714614
dimethyl 5-[(2-chloro-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate
CID 18287797
4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780372
4-[(2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780701
N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide
CID 113221263

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 43361749) is 4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2cccnc2Cl)c[nH]1.
What is the InChIKey of 4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is YHIGXLIUKMWETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O4S/c11-9-7(2-1-3-12-9)14-19(17,18)6-4-8(10(15)16)13-5-6/h1-5,13-14H,(H,15,16).
What are the key properties of 4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 301.71 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43361749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).