5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide

C15H16ClNO5S — CID 3706982

IUPAC5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1OC
InChIInChI=1S/C15H16ClNO5S/c1-20-12-7-5-11(9-14(12)22-3)17-23(18,19)15-8-10(16)4-6-13(15)21-2/h4-9,17H,1-3H3
InChIKeyXPZFRURLRRMPKE-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.17
Rot. Bonds6

About 5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide

5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide (PubChem CID 3706982) has the molecular formula C15H16ClNO5S and a molecular weight of 357.82 g/mol. Its IUPAC name is 5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
PubChem CID3706982
Molecular FormulaC15H16ClNO5S
Molecular Weight357.82 g/mol
Exact Mass357.04
IUPAC Name5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1OC
InChIInChI=1S/C15H16ClNO5S/c1-20-12-7-5-11(9-14(12)22-3)17-23(18,19)15-8-10(16)4-6-13(15)21-2/h4-9,17H,1-3H3
InChIKeyXPZFRURLRRMPKE-UHFFFAOYSA-N
XLogP3.17
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-chloro-N-dibenzofuran-3-yl-2-methoxybenzenesulfonamide
CID 100554095
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4826414
5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide
CID 57437853
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837085
CID 70601990
CID 70601990
5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
CID 100562486
5-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-methoxybenzenesulfonamide
CID 108783338
5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727388
N-[4-(azepan-1-yl)phenyl]-5-chloro-2-methoxybenzenesulfonamide
CID 112985795

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide (CID 3706982) is 5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1OC.
What is the InChIKey of 5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is XPZFRURLRRMPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO5S/c1-20-12-7-5-11(9-14(12)22-3)17-23(18,19)15-8-10(16)4-6-13(15)21-2/h4-9,17H,1-3H3.
What are the key properties of 5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide?
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide has a molecular weight of 357.82 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 3706982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).