2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide

C14H13Cl2NO4S — CID 138042252

IUPAC2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)cc1
InChIInChI=1S/C14H13Cl2NO4S/c1-20-10-5-3-9(4-6-10)17-22(18,19)14-8-11(15)13(21-2)7-12(14)16/h3-8,17H,1-2H3
InChIKeyNUVYLZGJQXCELR-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.81
Rot. Bonds5

About 2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide

2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 138042252) has the molecular formula C14H13Cl2NO4S and a molecular weight of 362.23 g/mol. Its IUPAC name is 2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID138042252
Molecular FormulaC14H13Cl2NO4S
Molecular Weight362.23 g/mol
Exact Mass360.99
IUPAC Name2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)cc1
InChIInChI=1S/C14H13Cl2NO4S/c1-20-10-5-3-9(4-6-10)17-22(18,19)14-8-11(15)13(21-2)7-12(14)16/h3-8,17H,1-2H3
InChIKeyNUVYLZGJQXCELR-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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Related Compounds

N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide
CID 138998155
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
5-amino-2-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3521355
2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 992252
2,5-dichloro-N-(1H-indazol-6-yl)-4-methoxybenzenesulfonamide
CID 2242342
2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 2871205
4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid
CID 15944041
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 1258973
ethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
CID 3952917
N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide
CID 17403113

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide (CID 138042252) is 2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is NUVYLZGJQXCELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO4S/c1-20-10-5-3-9(4-6-10)17-22(18,19)14-8-11(15)13(21-2)7-12(14)16/h3-8,17H,1-2H3.
What are the key properties of 2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide?
2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)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-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 138042252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).