N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide

C20H19ClN2O2S — CID 112987053

IUPACN-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc(Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H19ClN2O2S/c21-17-6-8-18(9-7-17)22-19-10-12-20(13-11-19)23-26(24,25)15-14-16-4-2-1-3-5-16/h1-13,22-23H,14-15H2
InChIKeyOWEMXRDBWGFDDI-UHFFFAOYSA-N
MW386.90 g/mol
LogP5.07
Rot. Bonds7

About N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide

N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide (PubChem CID 112987053) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide
PubChem CID112987053
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC NameN-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc(Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H19ClN2O2S/c21-17-6-8-18(9-7-17)22-19-10-12-20(13-11-19)23-26(24,25)15-14-16-4-2-1-3-5-16/h1-13,22-23H,14-15H2
InChIKeyOWEMXRDBWGFDDI-UHFFFAOYSA-N
XLogP5.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.90
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide 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-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide
CID 80685966
N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
CID 80686183
N-(3-iodophenyl)-2-phenylethanesulfonamide
CID 47309570
N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018574
N-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide
CID 19898930
N-(2-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
CID 80970637
N-[6-(2-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018483
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide
CID 112982516
2-phenyl-N-thiophen-3-ylethanesulfonamide
CID 71991634
N-(6-amino-3-pyridinyl)-2-phenylethanesulfonamide
CID 60792395
N-(2-iodophenyl)-2-phenylethanesulfonamide
CID 47177540
N-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113047510

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide (CID 112987053) is N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)Nc1ccc(Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide?
The InChIKey is OWEMXRDBWGFDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c21-17-6-8-18(9-7-17)22-19-10-12-20(13-11-19)23-26(24,25)15-14-16-4-2-1-3-5-16/h1-13,22-23H,14-15H2.
What are the key properties of N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide?
N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide has a molecular weight of 386.90 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 112987053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).