N-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide

C27H22N2O2S — CID 118908821

IUPACN-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C27H22N2O2S/c30-32(31,22-16-8-3-9-17-22)29-27(21-14-6-2-7-15-21)25-23-18-10-11-19-24(23)28-26(25)20-12-4-1-5-13-20/h1-19,27-29H
InChIKeyNPBLCKSBRWEIKG-UHFFFAOYSA-N
MW438.55 g/mol
LogP5.90
Rot. Bonds6

About N-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide

N-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide (PubChem CID 118908821) has the molecular formula C27H22N2O2S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide
PubChem CID118908821
Molecular FormulaC27H22N2O2S
Molecular Weight438.55 g/mol
Exact Mass438.14
IUPAC NameN-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C27H22N2O2S/c30-32(31,22-16-8-3-9-17-22)29-27(21-14-6-2-7-15-21)25-23-18-10-11-19-24(23)28-26(25)20-12-4-1-5-13-20/h1-19,27-29H
InChIKeyNPBLCKSBRWEIKG-UHFFFAOYSA-N
XLogP5.90
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea
CID 118908898
N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide
CID 136852078
N-[2,2,2-trichloro-1-(2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 594210
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate
CID 146165176
1,1,1-trifluoro-3-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-ol
CID 155547914
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide
CID 26528903
3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-2-phenyl-1H-indole
CID 102307639
N-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide
CID 162411750
2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid
CID 67841348

Frequently Asked Questions

What is the IUPAC name of N-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide (CID 118908821) is N-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide is O=S(=O)(NC(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide?
The InChIKey is NPBLCKSBRWEIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O2S/c30-32(31,22-16-8-3-9-17-22)29-27(21-14-6-2-7-15-21)25-23-18-10-11-19-24(23)28-26(25)20-12-4-1-5-13-20/h1-19,27-29H.
What are the key properties of N-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide?
N-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide has a molecular weight of 438.55 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 118908821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).