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

C16H18ClNO4S — CID 1287957

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3,4-dimethylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)c(C)c2)c(OC)cc1Cl
InChIInChI=1S/C16H18ClNO4S/c1-10-5-6-12(7-11(10)2)23(19,20)18-14-9-15(21-3)13(17)8-16(14)22-4/h5-9,18H,1-4H3
InChIKeyNWNHWALONQOHAW-UHFFFAOYSA-N
MW355.84 g/mol
LogP3.77
Rot. Bonds5

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

N-(4-chloro-2,5-dimethoxyphenyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 1287957) has the molecular formula C16H18ClNO4S and a molecular weight of 355.84 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3,4-dimethylbenzenesulfonamide
PubChem CID1287957
Molecular FormulaC16H18ClNO4S
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3,4-dimethylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)c(C)c2)c(OC)cc1Cl
InChIInChI=1S/C16H18ClNO4S/c1-10-5-6-12(7-11(10)2)23(19,20)18-14-9-15(21-3)13(17)8-16(14)22-4/h5-9,18H,1-4H3
InChIKeyNWNHWALONQOHAW-UHFFFAOYSA-N
XLogP3.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 53.77
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)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3,4-dimethylbenzenesulfonamide (CID 1287957) is N-(4-chloro-2,5-dimethoxyphenyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3,4-dimethylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(C)c(C)c2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is NWNHWALONQOHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4S/c1-10-5-6-12(7-11(10)2)23(19,20)18-14-9-15(21-3)13(17)8-16(14)22-4/h5-9,18H,1-4H3.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3,4-dimethylbenzenesulfonamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 355.84 g/mol, XLogP of 3.77, 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)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 1287957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).