N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopenta-1,4-diene-1-sulfonamide

C26H23F3N2O2S — CID 58920328

IUPACN-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopenta-1,4-diene-1-sulfonamide
SMILESCc1ccc(C(Cc2ccccc2)(NS(=O)(=O)C2=CCC=C2)c2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C26H23F3N2O2S/c1-19-14-15-24(30-18-19)25(17-20-8-3-2-4-9-20,31-34(32,33)23-12-5-6-13-23)21-10-7-11-22(16-21)26(27,28)29/h2-5,7-16,18,31H,6,17H2,1H3
InChIKeyBBSYQBFQDDGTQO-UHFFFAOYSA-N
MW484.54 g/mol
LogP5.66
Rot. Bonds7

About N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopenta-1,4-diene-1-sulfonamide

N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopenta-1,4-diene-1-sulfonamide (PubChem CID 58920328) has the molecular formula C26H23F3N2O2S and a molecular weight of 484.54 g/mol. Its IUPAC name is N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopenta-1,4-diene-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopenta-1,4-diene-1-sulfonamide
PubChem CID58920328
Molecular FormulaC26H23F3N2O2S
Molecular Weight484.54 g/mol
Exact Mass484.14
IUPAC NameN-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopenta-1,4-diene-1-sulfonamide
SMILESCc1ccc(C(Cc2ccccc2)(NS(=O)(=O)C2=CCC=C2)c2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C26H23F3N2O2S/c1-19-14-15-24(30-18-19)25(17-20-8-3-2-4-9-20,31-34(32,33)23-12-5-6-13-23)21-10-7-11-22(16-21)26(27,28)29/h2-5,7-16,18,31H,6,17H2,1H3
InChIKeyBBSYQBFQDDGTQO-UHFFFAOYSA-N
XLogP5.66
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.54
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopenta-1,4-diene-1-sulfonamide with MolForge

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Related Compounds

4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 58920671
4-(1-methoxyethenyl)-5-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-sulfonamide
CID 58920651
3-chloro-5-[[[1-[3-(1,1-difluoroethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]amino]-dimethylidene-λ6-sulfanyl]aniline
CID 143473799
N-benzyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethanamine
CID 71195612
N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3,3-dimethylbutanamide
CID 58920064
N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1-phenylmethanesulfonamide
CID 66934406
1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine
CID 143474285
1-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 58920809
1-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 58921476
1-(3,5-difluorophenyl)-3-[1-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 58920941
N-[(1S)-1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]pyrazin-2-amine
CID 143473720
N-(cyclopropylmethyl)-1-(3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 143473450

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopenta-1,4-diene-1-sulfonamide?
The IUPAC name of N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopenta-1,4-diene-1-sulfonamide (CID 58920328) is N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopenta-1,4-diene-1-sulfonamide.
What is the SMILES notation for N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopenta-1,4-diene-1-sulfonamide?
The canonical SMILES for N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopenta-1,4-diene-1-sulfonamide is Cc1ccc(C(Cc2ccccc2)(NS(=O)(=O)C2=CCC=C2)c2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopenta-1,4-diene-1-sulfonamide?
The InChIKey is BBSYQBFQDDGTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O2S/c1-19-14-15-24(30-18-19)25(17-20-8-3-2-4-9-20,31-34(32,33)23-12-5-6-13-23)21-10-7-11-22(16-21)26(27,28)29/h2-5,7-16,18,31H,6,17H2,1H3.
What are the key properties of N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopenta-1,4-diene-1-sulfonamide?
N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopenta-1,4-diene-1-sulfonamide has a molecular weight of 484.54 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopenta-1,4-diene-1-sulfonamide is sourced from PubChem (CID 58920328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).