4-[4-(difluoromethyl)-2-phenylpyrrol-1-yl]benzenesulfonamide

C17H14F2N2O2S — CID 141086948

IUPAC4-[4-(difluoromethyl)-2-phenylpyrrol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(C(F)F)cc2-c2ccccc2)cc1
InChIInChI=1S/C17H14F2N2O2S/c18-17(19)13-10-16(12-4-2-1-3-5-12)21(11-13)14-6-8-15(9-7-14)24(20,22)23/h1-11,17H,(H2,20,22,23)
InChIKeyYCRUDJKFQIEIII-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.73
Rot. Bonds4

About 4-[4-(difluoromethyl)-2-phenylpyrrol-1-yl]benzenesulfonamide

4-[4-(difluoromethyl)-2-phenylpyrrol-1-yl]benzenesulfonamide (PubChem CID 141086948) has the molecular formula C17H14F2N2O2S and a molecular weight of 348.37 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-2-phenylpyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(difluoromethyl)-2-phenylpyrrol-1-yl]benzenesulfonamide
PubChem CID141086948
Molecular FormulaC17H14F2N2O2S
Molecular Weight348.37 g/mol
Exact Mass348.07
IUPAC Name4-[4-(difluoromethyl)-2-phenylpyrrol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(C(F)F)cc2-c2ccccc2)cc1
InChIInChI=1S/C17H14F2N2O2S/c18-17(19)13-10-16(12-4-2-1-3-5-12)21(11-13)14-6-8-15(9-7-14)24(20,22)23/h1-11,17H,(H2,20,22,23)
InChIKeyYCRUDJKFQIEIII-UHFFFAOYSA-N
XLogP3.73
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(difluoromethyl)-1-(4-fluorophenyl)pyrrol-2-yl]benzenesulfonamide
CID 21221505
4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide
CID 68645665
4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide
CID 21221509
4-(3,5-diphenylpyrazol-1-yl)benzenesulfonamide
CID 3878623
4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 22998040
4-[2-(2-hydroxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide
CID 91455313
4-[3-(methylamino)-5-phenylpyrazol-1-yl]benzenesulfonamide
CID 22315384
4-[2-(4-hydroxyphenyl)pyrrol-1-yl]benzenesulfonamide
CID 21221412
4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid
CID 10668272
S-[4-[4-methyl-2-(4-sulfamoylphenyl)pyrrol-1-yl]phenyl] ethanethioate
CID 54381782
N-methyl-2-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanamide
CID 67663105
4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 19085974

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-2-phenylpyrrol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(difluoromethyl)-2-phenylpyrrol-1-yl]benzenesulfonamide (CID 141086948) is 4-[4-(difluoromethyl)-2-phenylpyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(difluoromethyl)-2-phenylpyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(difluoromethyl)-2-phenylpyrrol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc(C(F)F)cc2-c2ccccc2)cc1.
What is the InChIKey of 4-[4-(difluoromethyl)-2-phenylpyrrol-1-yl]benzenesulfonamide?
The InChIKey is YCRUDJKFQIEIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2S/c18-17(19)13-10-16(12-4-2-1-3-5-12)21(11-13)14-6-8-15(9-7-14)24(20,22)23/h1-11,17H,(H2,20,22,23).
What are the key properties of 4-[4-(difluoromethyl)-2-phenylpyrrol-1-yl]benzenesulfonamide?
4-[4-(difluoromethyl)-2-phenylpyrrol-1-yl]benzenesulfonamide has a molecular weight of 348.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)-2-phenylpyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 141086948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).