4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide

C16H18ClNO3S — CID 22774232

IUPAC4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C16H18ClNO3S/c1-4-21-15-8-6-5-7-14(15)18-22(19,20)16-10-11(2)13(17)9-12(16)3/h5-10,18H,4H2,1-3H3
InChIKeyAHVLROALYGHVSM-UHFFFAOYSA-N
MW339.84 g/mol
LogP4.16
Rot. Bonds5

About 4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide

4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 22774232) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID22774232
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C16H18ClNO3S/c1-4-21-15-8-6-5-7-14(15)18-22(19,20)16-10-11(2)13(17)9-12(16)3/h5-10,18H,4H2,1-3H3
InChIKeyAHVLROALYGHVSM-UHFFFAOYSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 9267445
N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22773817
4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide
CID 22206102
4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
CID 19684190
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
N-(2-ethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934988
4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 3783398
N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
CID 39847542
3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 30058477
N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 1256461
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide
CID 126387173

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide (CID 22774232) is 4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide is CCOc1ccccc1NS(=O)(=O)c1cc(C)c(Cl)cc1C.
What is the InChIKey of 4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is AHVLROALYGHVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-4-21-15-8-6-5-7-14(15)18-22(19,20)16-10-11(2)13(17)9-12(16)3/h5-10,18H,4H2,1-3H3.
What are the key properties of 4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide?
4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 22774232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).