N-(3-chloro-4-fluorophenyl)-1-(2-methylpyrimidin-4-yl)pyrrole-2-sulfonamide

C15H12ClFN4O2S — CID 131973050

IUPACN-(3-chloro-4-fluorophenyl)-1-(2-methylpyrimidin-4-yl)pyrrole-2-sulfonamide
SMILESCc1nccc(-n2cccc2S(=O)(=O)Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C15H12ClFN4O2S/c1-10-18-7-6-14(19-10)21-8-2-3-15(21)24(22,23)20-11-4-5-13(17)12(16)9-11/h2-9,20H,1H3
InChIKeyRSEPYXOXXCEHJJ-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.17
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-1-(2-methylpyrimidin-4-yl)pyrrole-2-sulfonamide

N-(3-chloro-4-fluorophenyl)-1-(2-methylpyrimidin-4-yl)pyrrole-2-sulfonamide (PubChem CID 131973050) has the molecular formula C15H12ClFN4O2S and a molecular weight of 366.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(2-methylpyrimidin-4-yl)pyrrole-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(2-methylpyrimidin-4-yl)pyrrole-2-sulfonamide
PubChem CID131973050
Molecular FormulaC15H12ClFN4O2S
Molecular Weight366.81 g/mol
Exact Mass366.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(2-methylpyrimidin-4-yl)pyrrole-2-sulfonamide
SMILESCc1nccc(-n2cccc2S(=O)(=O)Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C15H12ClFN4O2S/c1-10-18-7-6-14(19-10)21-8-2-3-15(21)24(22,23)20-11-4-5-13(17)12(16)9-11/h2-9,20H,1H3
InChIKeyRSEPYXOXXCEHJJ-UHFFFAOYSA-N
XLogP3.17
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide
CID 70139614
1-(3-chloro-5-methyl-2-pyridinyl)-N-(4-chlorophenyl)pyrrole-2-sulfonamide
CID 157375331
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide
CID 70138441
N-(3-chloro-4-fluorophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61003566
N-(3,4-dichlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299127
N-(3-chloro-4-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085849
3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
CID 122285892
N-(3-chloro-4-fluorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191076
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110
N-(3-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683530
3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43258685

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(2-methylpyrimidin-4-yl)pyrrole-2-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(2-methylpyrimidin-4-yl)pyrrole-2-sulfonamide (CID 131973050) is N-(3-chloro-4-fluorophenyl)-1-(2-methylpyrimidin-4-yl)pyrrole-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(2-methylpyrimidin-4-yl)pyrrole-2-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(2-methylpyrimidin-4-yl)pyrrole-2-sulfonamide is Cc1nccc(-n2cccc2S(=O)(=O)Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(2-methylpyrimidin-4-yl)pyrrole-2-sulfonamide?
The InChIKey is RSEPYXOXXCEHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O2S/c1-10-18-7-6-14(19-10)21-8-2-3-15(21)24(22,23)20-11-4-5-13(17)12(16)9-11/h2-9,20H,1H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(2-methylpyrimidin-4-yl)pyrrole-2-sulfonamide?
N-(3-chloro-4-fluorophenyl)-1-(2-methylpyrimidin-4-yl)pyrrole-2-sulfonamide has a molecular weight of 366.81 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(2-methylpyrimidin-4-yl)pyrrole-2-sulfonamide is sourced from PubChem (CID 131973050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).