3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide

C13H11Cl2NO3S — CID 7745694

IUPAC3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H11Cl2NO3S/c1-19-10-4-2-3-9(7-10)16-20(17,18)11-5-6-12(14)13(15)8-11/h2-8,16H,1H3
InChIKeyKHRROAZPTSJHGT-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.80
Rot. Bonds4

About 3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide

3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 7745694) has the molecular formula C13H11Cl2NO3S and a molecular weight of 332.21 g/mol. Its IUPAC name is 3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID7745694
Molecular FormulaC13H11Cl2NO3S
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC Name3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H11Cl2NO3S/c1-19-10-4-2-3-9(7-10)16-20(17,18)11-5-6-12(14)13(15)8-11/h2-8,16H,1H3
InChIKeyKHRROAZPTSJHGT-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

3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
CID 55043864
4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 82843846
5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 29042708
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
3-[(3,4-dichlorophenyl)sulfonylamino]-N-methoxybenzamide
CID 33102554
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3870405
N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759720
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide (CID 7745694) is 3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide is COc1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is KHRROAZPTSJHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S/c1-19-10-4-2-3-9(7-10)16-20(17,18)11-5-6-12(14)13(15)8-11/h2-8,16H,1H3.
What are the key properties of 3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide?
3,4-dichloro-N-(3-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 3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 7745694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).