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

C15H16ClNO5S — CID 3113409

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1
InChIInChI=1S/C15H16ClNO5S/c1-20-10-4-6-11(7-5-10)23(18,19)17-13-9-14(21-2)12(16)8-15(13)22-3/h4-9,17H,1-3H3
InChIKeyAOXLKGLHHCSNJA-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.17
Rot. Bonds6

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

N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide (PubChem CID 3113409) has the molecular formula C15H16ClNO5S and a molecular weight of 357.82 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide
PubChem CID3113409
Molecular FormulaC15H16ClNO5S
Molecular Weight357.82 g/mol
Exact Mass357.04
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1
InChIInChI=1S/C15H16ClNO5S/c1-20-10-4-6-11(7-5-10)23(18,19)17-13-9-14(21-2)12(16)8-15(13)22-3/h4-9,17H,1-3H3
InChIKeyAOXLKGLHHCSNJA-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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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide (CID 3113409) is N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is AOXLKGLHHCSNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO5S/c1-20-10-4-6-11(7-5-10)23(18,19)17-13-9-14(21-2)12(16)8-15(13)22-3/h4-9,17H,1-3H3.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-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 N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3113409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).