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

C14H14ClNO4S — CID 710996

IUPACN-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2)c(OC)cc1Cl
InChIInChI=1S/C14H14ClNO4S/c1-19-13-9-12(14(20-2)8-11(13)15)16-21(17,18)10-6-4-3-5-7-10/h3-9,16H,1-2H3
InChIKeyDLBRNLJHRWXVHR-UHFFFAOYSA-N
MW327.79 g/mol
LogP3.16
Rot. Bonds5

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

N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide (PubChem CID 710996) has the molecular formula C14H14ClNO4S and a molecular weight of 327.79 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
PubChem CID710996
Molecular FormulaC14H14ClNO4S
Molecular Weight327.79 g/mol
Exact Mass327.03
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2)c(OC)cc1Cl
InChIInChI=1S/C14H14ClNO4S/c1-19-13-9-12(14(20-2)8-11(13)15)16-21(17,18)10-6-4-3-5-7-10/h3-9,16H,1-2H3
InChIKeyDLBRNLJHRWXVHR-UHFFFAOYSA-N
XLogP3.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22774049
4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 22774048
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide
CID 110427928
N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
CID 43550840
N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60912014
N-(5-chloro-2,4-dimethoxyphenyl)-4-(dimethylamino)benzenesulfonamide
CID 167884327
2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 1005068
2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide
CID 24621377
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823558
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 16644666
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide (CID 710996) is N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccccc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide?
The InChIKey is DLBRNLJHRWXVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4S/c1-19-13-9-12(14(20-2)8-11(13)15)16-21(17,18)10-6-4-3-5-7-10/h3-9,16H,1-2H3.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide?
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide has a molecular weight of 327.79 g/mol, XLogP of 3.16, 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)benzenesulfonamide is sourced from PubChem (CID 710996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).