2,5-dichloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide

C14H13Cl2NO4S — CID 1319972

IUPAC2,5-dichloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC
InChIInChI=1S/C14H13Cl2NO4S/c1-20-12-6-4-10(8-13(12)21-2)17-22(18,19)14-7-9(15)3-5-11(14)16/h3-8,17H,1-2H3
InChIKeyJNPCWXLXEJFAQH-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.81
Rot. Bonds5

About 2,5-dichloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide

2,5-dichloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide (PubChem CID 1319972) has the molecular formula C14H13Cl2NO4S and a molecular weight of 362.23 g/mol. Its IUPAC name is 2,5-dichloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide
PubChem CID1319972
Molecular FormulaC14H13Cl2NO4S
Molecular Weight362.23 g/mol
Exact Mass360.99
IUPAC Name2,5-dichloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC
InChIInChI=1S/C14H13Cl2NO4S/c1-20-12-6-4-10(8-13(12)21-2)17-22(18,19)14-7-9(15)3-5-11(14)16/h3-8,17H,1-2H3
InChIKeyJNPCWXLXEJFAQH-UHFFFAOYSA-N
XLogP3.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide (CID 1319972) is 2,5-dichloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC.
What is the InChIKey of 2,5-dichloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
The InChIKey is JNPCWXLXEJFAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO4S/c1-20-12-6-4-10(8-13(12)21-2)17-22(18,19)14-7-9(15)3-5-11(14)16/h3-8,17H,1-2H3.
What are the key properties of 2,5-dichloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
2,5-dichloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide has a molecular weight of 362.23 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 1319972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).