4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide

C29H24F6N2O2S — CID 58920671

IUPAC4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(C(Cc2ccccc2)(NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C29H24F6N2O2S/c1-19-11-14-26(36-18-19)27(17-21-7-4-3-5-8-21,22-9-6-10-23(15-22)28(30,31)32)37-40(38,39)24-13-12-20(2)25(16-24)29(33,34)35/h3-16,18,37H,17H2,1-2H3
InChIKeyNORACUJQFFVXIN-UHFFFAOYSA-N
MW578.58 g/mol
LogP7.20
Rot. Bonds7

About 4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide

4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 58920671) has the molecular formula C29H24F6N2O2S and a molecular weight of 578.58 g/mol. Its IUPAC name is 4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID58920671
Molecular FormulaC29H24F6N2O2S
Molecular Weight578.58 g/mol
Exact Mass578.15
IUPAC Name4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(C(Cc2ccccc2)(NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C29H24F6N2O2S/c1-19-11-14-26(36-18-19)27(17-21-7-4-3-5-8-21,22-9-6-10-23(15-22)28(30,31)32)37-40(38,39)24-13-12-20(2)25(16-24)29(33,34)35/h3-16,18,37H,17H2,1-2H3
InChIKeyNORACUJQFFVXIN-UHFFFAOYSA-N
XLogP7.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.58
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopenta-1,4-diene-1-sulfonamide
CID 58920328
4-(1-methoxyethenyl)-5-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-sulfonamide
CID 58920651
N-benzyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethanamine
CID 71195612
3-chloro-5-[[[1-[3-(1,1-difluoroethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]amino]-dimethylidene-λ6-sulfanyl]aniline
CID 143473799
1-[(1R)-1-[5-(iodomethyl)-2-pyridinyl]-1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-propan-2-ylurea
CID 89347680
N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3,3-dimethylbutanamide
CID 58920064
1-[1-(5-chloro-2-pyridinyl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea
CID 66934315
1-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 58920809
N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 58920287
N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1-phenylmethanesulfonamide
CID 66934406
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide
CID 58920411
1-(3,5-difluorophenyl)-3-[1-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 58920941

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide (CID 58920671) is 4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(C(Cc2ccccc2)(NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of 4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NORACUJQFFVXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F6N2O2S/c1-19-11-14-26(36-18-19)27(17-21-7-4-3-5-8-21,22-9-6-10-23(15-22)28(30,31)32)37-40(38,39)24-13-12-20(2)25(16-24)29(33,34)35/h3-16,18,37H,17H2,1-2H3.
What are the key properties of 4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide?
4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 578.58 g/mol, XLogP of 7.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 58920671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).