2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide

C13H12Cl2N2O3S — CID 107620731

IUPAC2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2c(N)cccc2Cl)ccc1Cl
InChIInChI=1S/C13H12Cl2N2O3S/c1-20-12-7-8(5-6-9(12)14)17-21(18,19)13-10(15)3-2-4-11(13)16/h2-7,17H,16H2,1H3
InChIKeyOKVGHWJSBIQNCJ-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.38
Rot. Bonds4

About 2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide

2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide (PubChem CID 107620731) has the molecular formula C13H12Cl2N2O3S and a molecular weight of 347.22 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide
PubChem CID107620731
Molecular FormulaC13H12Cl2N2O3S
Molecular Weight347.22 g/mol
Exact Mass345.99
IUPAC Name2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2c(N)cccc2Cl)ccc1Cl
InChIInChI=1S/C13H12Cl2N2O3S/c1-20-12-7-8(5-6-9(12)14)17-21(18,19)13-10(15)3-2-4-11(13)16/h2-7,17H,16H2,1H3
InChIKeyOKVGHWJSBIQNCJ-UHFFFAOYSA-N
XLogP3.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62810748
2-amino-N-(3-bromo-5-methoxyphenyl)-6-chlorobenzenesulfonamide
CID 82859345
N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43605036
3-amino-N-(4-chloro-3-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 107620734
3-amino-N-(4-chloro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 107620728
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide
CID 43452572
N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide
CID 43605015
N-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087765
N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide
CID 43603701
N-(4-chloro-3-methoxyphenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 107622147
N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
CID 107623369

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide (CID 107620731) is 2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2c(N)cccc2Cl)ccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide?
The InChIKey is OKVGHWJSBIQNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S/c1-20-12-7-8(5-6-9(12)14)17-21(18,19)13-10(15)3-2-4-11(13)16/h2-7,17H,16H2,1H3.
What are the key properties of 2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide?
2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide has a molecular weight of 347.22 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 107620731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).