5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide

C16H18ClNO4S — CID 9267445

IUPAC5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C16H18ClNO4S/c1-4-22-14-8-6-5-7-13(14)18-23(19,20)16-10-12(17)11(2)9-15(16)21-3/h5-10,18H,4H2,1-3H3
InChIKeyRKAYIWMSGAQCMJ-UHFFFAOYSA-N
MW355.84 g/mol
LogP3.86
Rot. Bonds6

About 5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide

5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 9267445) has the molecular formula C16H18ClNO4S and a molecular weight of 355.84 g/mol. Its IUPAC name is 5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
PubChem CID9267445
Molecular FormulaC16H18ClNO4S
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC Name5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C16H18ClNO4S/c1-4-22-14-8-6-5-7-13(14)18-23(19,20)16-10-12(17)11(2)9-15(16)21-3/h5-10,18H,4H2,1-3H3
InChIKeyRKAYIWMSGAQCMJ-UHFFFAOYSA-N
XLogP3.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 22774232
N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
CID 39847542
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658176
4-chloro-2,5-dimethoxy-N-(2-methylphenyl)benzenesulfonamide
CID 163343299
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060136
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethoxyphenyl)-2-methoxybenzenesulfonamide
CID 53054230
2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 39845568
N-[2-(methanesulfonamido)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113093442
N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 1256461

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide (CID 9267445) is 5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide is CCOc1ccccc1NS(=O)(=O)c1cc(Cl)c(C)cc1OC.
What is the InChIKey of 5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is RKAYIWMSGAQCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4S/c1-4-22-14-8-6-5-7-13(14)18-23(19,20)16-10-12(17)11(2)9-15(16)21-3/h5-10,18H,4H2,1-3H3.
What are the key properties of 5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide?
5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 355.84 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 9267445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).