N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide

C18H22ClNO4S — CID 16644666

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(OC)cc1Cl
InChIInChI=1S/C18H22ClNO4S/c1-10-7-11(2)13(4)18(12(10)3)25(21,22)20-15-9-16(23-5)14(19)8-17(15)24-6/h7-9,20H,1-6H3
InChIKeySFDCPPAUIHQQIK-UHFFFAOYSA-N
MW383.90 g/mol
LogP4.39
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide

N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 16644666) has the molecular formula C18H22ClNO4S and a molecular weight of 383.90 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID16644666
Molecular FormulaC18H22ClNO4S
Molecular Weight383.90 g/mol
Exact Mass383.10
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(OC)cc1Cl
InChIInChI=1S/C18H22ClNO4S/c1-10-7-11(2)13(4)18(12(10)3)25(21,22)20-15-9-16(23-5)14(19)8-17(15)24-6/h7-9,20H,1-6H3
InChIKeySFDCPPAUIHQQIK-UHFFFAOYSA-N
XLogP4.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683826
4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 171699229
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 27993653
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 1005068
N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 1256461
N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60912014
5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 55731063
5-tert-butyl-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938313
2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide
CID 24621377
2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 1258973
4-chloro-2,5-dimethoxy-N-(2-methylphenyl)benzenesulfonamide
CID 163343299

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide (CID 16644666) is N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is SFDCPPAUIHQQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO4S/c1-10-7-11(2)13(4)18(12(10)3)25(21,22)20-15-9-16(23-5)14(19)8-17(15)24-6/h7-9,20H,1-6H3.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 383.90 g/mol, XLogP of 4.39, 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)-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 16644666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).