N-benzhydryl-4-phenylbenzenesulfonamide

C25H21NO2S — CID 3504321

IUPACN-benzhydryl-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H21NO2S/c27-29(28,24-18-16-21(17-19-24)20-10-4-1-5-11-20)26-25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,25-26H
InChIKeyKLJIFQXTKORUIP-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.42
Rot. Bonds6

About N-benzhydryl-4-phenylbenzenesulfonamide

N-benzhydryl-4-phenylbenzenesulfonamide (PubChem CID 3504321) has the molecular formula C25H21NO2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-benzhydryl-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzhydryl-4-phenylbenzenesulfonamide
PubChem CID3504321
Molecular FormulaC25H21NO2S
Molecular Weight399.52 g/mol
Exact Mass399.13
IUPAC NameN-benzhydryl-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H21NO2S/c27-29(28,24-18-16-21(17-19-24)20-10-4-1-5-11-20)26-25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,25-26H
InChIKeyKLJIFQXTKORUIP-UHFFFAOYSA-N
XLogP5.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
N-benzhydryl-4-butan-2-ylbenzenesulfonamide
CID 19681704
N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-4-phenylbenzenesulfonamide
CID 56549741
3,4-diamino-N-benzhydrylbenzenesulfonamide
CID 142157498
N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide
CID 102281478
N-(1-aminoethyl)-4-phenylbenzenesulfonamide;hydrochloride
CID 175511527
N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 78686932
N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1168367
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide
CID 26528903
4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 134952770
N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35295897

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-phenylbenzenesulfonamide?
The IUPAC name of N-benzhydryl-4-phenylbenzenesulfonamide (CID 3504321) is N-benzhydryl-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-benzhydryl-4-phenylbenzenesulfonamide?
The canonical SMILES for N-benzhydryl-4-phenylbenzenesulfonamide is O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-4-phenylbenzenesulfonamide?
The InChIKey is KLJIFQXTKORUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2S/c27-29(28,24-18-16-21(17-19-24)20-10-4-1-5-11-20)26-25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,25-26H.
What are the key properties of N-benzhydryl-4-phenylbenzenesulfonamide?
N-benzhydryl-4-phenylbenzenesulfonamide has a molecular weight of 399.52 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-phenylbenzenesulfonamide is sourced from PubChem (CID 3504321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).