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

C15H16ClNO4S — CID 707400

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)cc2)c(OC)cc1Cl
InChIInChI=1S/C15H16ClNO4S/c1-10-4-6-11(7-5-10)22(18,19)17-13-9-14(20-2)12(16)8-15(13)21-3/h4-9,17H,1-3H3
InChIKeyFPNOAPIPFGTKSQ-UHFFFAOYSA-N
MW341.82 g/mol
LogP3.47
Rot. Bonds5

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

N-(4-chloro-2,5-dimethoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 707400) has the molecular formula C15H16ClNO4S and a molecular weight of 341.82 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID707400
Molecular FormulaC15H16ClNO4S
Molecular Weight341.82 g/mol
Exact Mass341.05
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)cc2)c(OC)cc1Cl
InChIInChI=1S/C15H16ClNO4S/c1-10-4-6-11(7-5-10)22(18,19)17-13-9-14(20-2)12(16)8-15(13)21-3/h4-9,17H,1-3H3
InChIKeyFPNOAPIPFGTKSQ-UHFFFAOYSA-N
XLogP3.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-methylbenzenesulfonamide (CID 707400) is N-(4-chloro-2,5-dimethoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-methylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(C)cc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is FPNOAPIPFGTKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S/c1-10-4-6-11(7-5-10)22(18,19)17-13-9-14(20-2)12(16)8-15(13)21-3/h4-9,17H,1-3H3.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-methylbenzenesulfonamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 341.82 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 707400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).