3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide

C14H13Cl2NO2S — CID 7038002

IUPAC3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H13Cl2NO2S/c1-10(11-5-3-2-4-6-11)17-20(18,19)12-7-8-13(15)14(16)9-12/h2-10,17H,1H3/t10-/m0/s1
InChIKeyDQQURHNJTWFSNQ-JTQLQIEISA-N
MW330.24 g/mol
LogP4.03
Rot. Bonds4

About 3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide

3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide (PubChem CID 7038002) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
PubChem CID7038002
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H13Cl2NO2S/c1-10(11-5-3-2-4-6-11)17-20(18,19)12-7-8-13(15)14(16)9-12/h2-10,17H,1H3/t10-/m0/s1
InChIKeyDQQURHNJTWFSNQ-JTQLQIEISA-N
XLogP4.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4-dichloro-N-[(1S)-1-phenylethyl]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

3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3870405
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
CID 126393256
3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide
CID 112771130
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide
CID 91670103
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 42998950
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124550738
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 124550737
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide (CID 7038002) is 3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The InChIKey is DQQURHNJTWFSNQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c1-10(11-5-3-2-4-6-11)17-20(18,19)12-7-8-13(15)14(16)9-12/h2-10,17H,1H3/t10-/m0/s1.
What are the key properties of 3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide?
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide has a molecular weight of 330.24 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 7038002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).