4-[(2,4-difluorophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid

C12H10F2N2O4S — CID 82877741

IUPAC4-[(2,4-difluorophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NS(=O)(=O)c2ccc(F)cc2F)c1C(=O)O
InChIInChI=1S/C12H10F2N2O4S/c1-6-11(12(17)18)9(5-15-6)16-21(19,20)10-3-2-7(13)4-8(10)14/h2-5,15-16H,1H3,(H,17,18)
InChIKeyGAHRHJUSPLMBDZ-UHFFFAOYSA-N
MW316.29 g/mol
LogP2.10
Rot. Bonds4

About 4-[(2,4-difluorophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid

4-[(2,4-difluorophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82877741) has the molecular formula C12H10F2N2O4S and a molecular weight of 316.29 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82877741
Molecular FormulaC12H10F2N2O4S
Molecular Weight316.29 g/mol
Exact Mass316.03
IUPAC Name4-[(2,4-difluorophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NS(=O)(=O)c2ccc(F)cc2F)c1C(=O)O
InChIInChI=1S/C12H10F2N2O4S/c1-6-11(12(17)18)9(5-15-6)16-21(19,20)10-3-2-7(13)4-8(10)14/h2-5,15-16H,1H3,(H,17,18)
InChIKeyGAHRHJUSPLMBDZ-UHFFFAOYSA-N
XLogP2.10
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877606
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid
CID 82880941
2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774544
methyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate
CID 31808073
2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
CID 3828753
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881181
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-[(2,4-difluorophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82877741) is 4-[(2,4-difluorophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-[(2,4-difluorophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-[(2,4-difluorophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]cc(NS(=O)(=O)c2ccc(F)cc2F)c1C(=O)O.
What is the InChIKey of 4-[(2,4-difluorophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is GAHRHJUSPLMBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O4S/c1-6-11(12(17)18)9(5-15-6)16-21(19,20)10-3-2-7(13)4-8(10)14/h2-5,15-16H,1H3,(H,17,18).
What are the key properties of 4-[(2,4-difluorophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-[(2,4-difluorophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 316.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82877741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).