3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide

C13H11Cl2NO3S — CID 47419004

IUPAC3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C13H11Cl2NO3S/c1-19-10-5-6-12(15)13(8-10)16-20(17,18)11-4-2-3-9(14)7-11/h2-8,16H,1H3
InChIKeyGAFSCUPTQLUNPD-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.80
Rot. Bonds4

About 3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide

3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide (PubChem CID 47419004) has the molecular formula C13H11Cl2NO3S and a molecular weight of 332.21 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide
PubChem CID47419004
Molecular FormulaC13H11Cl2NO3S
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC Name3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C13H11Cl2NO3S/c1-19-10-5-6-12(15)13(8-10)16-20(17,18)11-4-2-3-9(14)7-11/h2-8,16H,1H3
InChIKeyGAFSCUPTQLUNPD-UHFFFAOYSA-N
XLogP3.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide
CID 81260297
N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide
CID 110777955
4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide
CID 103710408
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 2477654
N-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47408334
3-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776651
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
3-chloro-N-[5-methoxy-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzenesulfonamide
CID 46071610
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274
3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide
CID 46696278

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide (CID 47419004) is 3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide is COc1ccc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide?
The InChIKey is GAFSCUPTQLUNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S/c1-19-10-5-6-12(15)13(8-10)16-20(17,18)11-4-2-3-9(14)7-11/h2-8,16H,1H3.
What are the key properties of 3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide?
3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide has a molecular weight of 332.21 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 47419004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).