N-(4-chloro-2,5-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide

C16H18ClNO5S — CID 1289166

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(C)ccc2OC)c(OC)cc1Cl
InChIInChI=1S/C16H18ClNO5S/c1-10-5-6-13(21-2)16(7-10)24(19,20)18-12-9-14(22-3)11(17)8-15(12)23-4/h5-9,18H,1-4H3
InChIKeyBNRXUCMDXNDKLE-UHFFFAOYSA-N
MW371.84 g/mol
LogP3.48
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 1289166) has the molecular formula C16H18ClNO5S and a molecular weight of 371.84 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID1289166
Molecular FormulaC16H18ClNO5S
Molecular Weight371.84 g/mol
Exact Mass371.06
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(C)ccc2OC)c(OC)cc1Cl
InChIInChI=1S/C16H18ClNO5S/c1-10-5-6-13(21-2)16(7-10)24(19,20)18-12-9-14(22-3)11(17)8-15(12)23-4/h5-9,18H,1-4H3
InChIKeyBNRXUCMDXNDKLE-UHFFFAOYSA-N
XLogP3.48
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-2,5-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide (CID 1289166) is N-(4-chloro-2,5-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2cc(C)ccc2OC)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is BNRXUCMDXNDKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO5S/c1-10-5-6-13(21-2)16(7-10)24(19,20)18-12-9-14(22-3)11(17)8-15(12)23-4/h5-9,18H,1-4H3.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 371.84 g/mol, XLogP of 3.48, 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)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 1289166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).