2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide

C13H12Cl2N2O2S — CID 40673104

IUPAC2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1cccnc1
InChIInChI=1S/C13H12Cl2N2O2S/c1-9(10-4-3-7-16-8-10)17-20(18,19)12-6-2-5-11(14)13(12)15/h2-9,17H,1H3/t9-/m1/s1
InChIKeyIUTDRQJEUVTMSX-SECBINFHSA-N
MW331.22 g/mol
LogP3.43
Rot. Bonds4

About 2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide

2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide (PubChem CID 40673104) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide
PubChem CID40673104
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1cccnc1
InChIInChI=1S/C13H12Cl2N2O2S/c1-9(10-4-3-7-16-8-10)17-20(18,19)12-6-2-5-11(14)13(12)15/h2-9,17H,1H3/t9-/m1/s1
InChIKeyIUTDRQJEUVTMSX-SECBINFHSA-N
XLogP3.43
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]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

2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 71954745
3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 106021295
2,4,5-trifluoro-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 95310179
2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111106
2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 4827426
2-(1-pyridin-3-ylethylsulfamoyl)benzenecarbothioamide
CID 43523803
4-amino-3-chloro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 115329699
3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 43523626
3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 81258843
3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111104
3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 79885270
N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide
CID 47007924

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide (CID 40673104) is 2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1cccnc1.
What is the InChIKey of 2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide?
The InChIKey is IUTDRQJEUVTMSX-SECBINFHSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-9(10-4-3-7-16-8-10)17-20(18,19)12-6-2-5-11(14)13(12)15/h2-9,17H,1H3/t9-/m1/s1.
What are the key properties of 2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide?
2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide has a molecular weight of 331.22 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 40673104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).