3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide

C25H26N2O3S — CID 26727547

IUPAC3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C25H26N2O3S/c28-25(26-24-16-7-6-15-23(24)20-11-4-3-5-12-20)21-13-10-14-22(19-21)31(29,30)27-17-8-1-2-9-18-27/h3-7,10-16,19H,1-2,8-9,17-18H2,(H,26,28)
InChIKeyLBPPFIMNNISOPB-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.17
Rot. Bonds5

About 3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide

3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide (PubChem CID 26727547) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
PubChem CID26727547
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C25H26N2O3S/c28-25(26-24-16-7-6-15-23(24)20-11-4-3-5-12-20)21-13-10-14-22(19-21)31(29,30)27-17-8-1-2-9-18-27/h3-7,10-16,19H,1-2,8-9,17-18H2,(H,26,28)
InChIKeyLBPPFIMNNISOPB-UHFFFAOYSA-N
XLogP5.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26727587
N-(2-aminophenyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119422102
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530
N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 26181040
2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26727569
3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2329024
N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 7688667
N-(2-methylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688908
2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 4094310
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
3-(azepan-1-ylsulfonyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525410
3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide
CID 7043681

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide (CID 26727547) is 3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide is O=C(Nc1ccccc1-c1ccccc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide?
The InChIKey is LBPPFIMNNISOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c28-25(26-24-16-7-6-15-23(24)20-11-4-3-5-12-20)21-13-10-14-22(19-21)31(29,30)27-17-8-1-2-9-18-27/h3-7,10-16,19H,1-2,8-9,17-18H2,(H,26,28).
What are the key properties of 3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide?
3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide has a molecular weight of 434.56 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide is sourced from PubChem (CID 26727547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).