4-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzenesulfonamide

C23H24ClNO4S2 — CID 86702461

IUPAC4-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzenesulfonamide
SMILESCC[C@@H](c1ccccc1)N(Cc1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClNO4S2/c1-3-23(19-7-5-4-6-8-19)25(31(28,29)22-15-11-20(24)12-16-22)17-18-9-13-21(14-10-18)30(2,26)27/h4-16,23H,3,17H2,1-2H3/t23-/m0/s1
InChIKeyRSLFXPZRKQPBLP-QHCPKHFHSA-N
MW478.04 g/mol
LogP5.09
Rot. Bonds8

About 4-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzenesulfonamide

4-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzenesulfonamide (PubChem CID 86702461) has the molecular formula C23H24ClNO4S2 and a molecular weight of 478.04 g/mol. Its IUPAC name is 4-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzenesulfonamide
PubChem CID86702461
Molecular FormulaC23H24ClNO4S2
Molecular Weight478.04 g/mol
Exact Mass477.08
IUPAC Name4-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzenesulfonamide
SMILESCC[C@@H](c1ccccc1)N(Cc1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClNO4S2/c1-3-23(19-7-5-4-6-8-19)25(31(28,29)22-15-11-20(24)12-16-22)17-18-9-13-21(14-10-18)30(2,26)27/h4-16,23H,3,17H2,1-2H3/t23-/m0/s1
InChIKeyRSLFXPZRKQPBLP-QHCPKHFHSA-N
XLogP5.09
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.04
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzenesulfonamide (CID 86702461) is 4-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzenesulfonamide is CC[C@@H](c1ccccc1)N(Cc1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzenesulfonamide?
The InChIKey is RSLFXPZRKQPBLP-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H24ClNO4S2/c1-3-23(19-7-5-4-6-8-19)25(31(28,29)22-15-11-20(24)12-16-22)17-18-9-13-21(14-10-18)30(2,26)27/h4-16,23H,3,17H2,1-2H3/t23-/m0/s1.
What are the key properties of 4-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzenesulfonamide?
4-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzenesulfonamide has a molecular weight of 478.04 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzenesulfonamide is sourced from PubChem (CID 86702461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).