N-(2-methyl-5-pyrrol-1-ylphenyl)-2-(trifluoromethyl)pyridine-4-sulfonamide

C17H14F3N3O2S — CID 67283740

IUPACN-(2-methyl-5-pyrrol-1-ylphenyl)-2-(trifluoromethyl)pyridine-4-sulfonamide
SMILESCc1ccc(-n2cccc2)cc1NS(=O)(=O)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3N3O2S/c1-12-4-5-13(23-8-2-3-9-23)10-15(12)22-26(24,25)14-6-7-21-16(11-14)17(18,19)20/h2-11,22H,1H3
InChIKeyXOLGTTTWGHEZER-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.00
Rot. Bonds4

About N-(2-methyl-5-pyrrol-1-ylphenyl)-2-(trifluoromethyl)pyridine-4-sulfonamide

N-(2-methyl-5-pyrrol-1-ylphenyl)-2-(trifluoromethyl)pyridine-4-sulfonamide (PubChem CID 67283740) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is N-(2-methyl-5-pyrrol-1-ylphenyl)-2-(trifluoromethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-5-pyrrol-1-ylphenyl)-2-(trifluoromethyl)pyridine-4-sulfonamide
PubChem CID67283740
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC NameN-(2-methyl-5-pyrrol-1-ylphenyl)-2-(trifluoromethyl)pyridine-4-sulfonamide
SMILESCc1ccc(-n2cccc2)cc1NS(=O)(=O)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3N3O2S/c1-12-4-5-13(23-8-2-3-9-23)10-15(12)22-26(24,25)14-6-7-21-16(11-14)17(18,19)20/h2-11,22H,1H3
InChIKeyXOLGTTTWGHEZER-UHFFFAOYSA-N
XLogP4.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide
CID 46242018
2-methoxy-N-(3-methyl-5-pyrrol-1-ylphenyl)pyridine-4-sulfonamide
CID 46833539
N-(2,5-dimethylphenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004704
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 40998603
4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000614
N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46465417
N-(2,5-dimethylphenyl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62148688
N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362204
4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000667
N-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3780778
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide
CID 61051309

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-pyrrol-1-ylphenyl)-2-(trifluoromethyl)pyridine-4-sulfonamide?
The IUPAC name of N-(2-methyl-5-pyrrol-1-ylphenyl)-2-(trifluoromethyl)pyridine-4-sulfonamide (CID 67283740) is N-(2-methyl-5-pyrrol-1-ylphenyl)-2-(trifluoromethyl)pyridine-4-sulfonamide.
What is the SMILES notation for N-(2-methyl-5-pyrrol-1-ylphenyl)-2-(trifluoromethyl)pyridine-4-sulfonamide?
The canonical SMILES for N-(2-methyl-5-pyrrol-1-ylphenyl)-2-(trifluoromethyl)pyridine-4-sulfonamide is Cc1ccc(-n2cccc2)cc1NS(=O)(=O)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methyl-5-pyrrol-1-ylphenyl)-2-(trifluoromethyl)pyridine-4-sulfonamide?
The InChIKey is XOLGTTTWGHEZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-12-4-5-13(23-8-2-3-9-23)10-15(12)22-26(24,25)14-6-7-21-16(11-14)17(18,19)20/h2-11,22H,1H3.
What are the key properties of N-(2-methyl-5-pyrrol-1-ylphenyl)-2-(trifluoromethyl)pyridine-4-sulfonamide?
N-(2-methyl-5-pyrrol-1-ylphenyl)-2-(trifluoromethyl)pyridine-4-sulfonamide has a molecular weight of 381.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-pyrrol-1-ylphenyl)-2-(trifluoromethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 67283740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).