3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide

C12H9Cl2NO3S — CID 64788491

IUPAC3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(O)c1)c1cccc(Cl)c1
InChIInChI=1S/C12H9Cl2NO3S/c13-8-2-1-3-10(6-8)19(17,18)15-9-4-5-11(14)12(16)7-9/h1-7,15-16H
InChIKeyJBHSIKPLIQXLML-UHFFFAOYSA-N
MW318.18 g/mol
LogP3.50
Rot. Bonds3

About 3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide

3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide (PubChem CID 64788491) has the molecular formula C12H9Cl2NO3S and a molecular weight of 318.18 g/mol. Its IUPAC name is 3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide
PubChem CID64788491
Molecular FormulaC12H9Cl2NO3S
Molecular Weight318.18 g/mol
Exact Mass316.97
IUPAC Name3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(O)c1)c1cccc(Cl)c1
InChIInChI=1S/C12H9Cl2NO3S/c13-8-2-1-3-10(6-8)19(17,18)15-9-4-5-11(14)12(16)7-9/h1-7,15-16H
InChIKeyJBHSIKPLIQXLML-UHFFFAOYSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82885473
N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide
CID 64788086
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide
CID 65430879
4-[(3-chlorophenyl)sulfonylamino]benzenecarbothioamide
CID 43120080
3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
CID 71013468
3-amino-N-(3-chlorophenyl)benzenesulfonamide
CID 3828479
N-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide
CID 79822200
3-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide
CID 87731949
5-(benzenesulfonamido)-2-chloro-N-(3-chlorophenyl)benzamide
CID 92674550
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide (CID 64788491) is 3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)c(O)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide?
The InChIKey is JBHSIKPLIQXLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO3S/c13-8-2-1-3-10(6-8)19(17,18)15-9-4-5-11(14)12(16)7-9/h1-7,15-16H.
What are the key properties of 3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide?
3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide has a molecular weight of 318.18 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 64788491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).