3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide

C16H18ClNO3S — CID 86824893

IUPAC3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide
SMILESCCOCc1ccccc1NS(=O)(=O)c1cccc(Cl)c1C
InChIInChI=1S/C16H18ClNO3S/c1-3-21-11-13-7-4-5-9-15(13)18-22(19,20)16-10-6-8-14(17)12(16)2/h4-10,18H,3,11H2,1-2H3
InChIKeyQCDMTPZALKLVAD-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.99
Rot. Bonds6

About 3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide

3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide (PubChem CID 86824893) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide
PubChem CID86824893
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide
SMILESCCOCc1ccccc1NS(=O)(=O)c1cccc(Cl)c1C
InChIInChI=1S/C16H18ClNO3S/c1-3-21-11-13-7-4-5-9-15(13)18-22(19,20)16-10-6-8-14(17)12(16)2/h4-10,18H,3,11H2,1-2H3
InChIKeyQCDMTPZALKLVAD-UHFFFAOYSA-N
XLogP3.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(ethoxymethyl)phenyl]benzenesulfonamide
CID 86824925
3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 60532850
3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide
CID 46379345
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide
CID 10287096
2-methyl-N-(2-propylphenyl)benzenesulfonamide
CID 63000036
4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22773817
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
ethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate
CID 11199690
ethyl 2-[(3-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921197
N-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide
CID 60532304
2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide
CID 47310105

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide (CID 86824893) is 3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide is CCOCc1ccccc1NS(=O)(=O)c1cccc(Cl)c1C.
What is the InChIKey of 3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide?
The InChIKey is QCDMTPZALKLVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-3-21-11-13-7-4-5-9-15(13)18-22(19,20)16-10-6-8-14(17)12(16)2/h4-10,18H,3,11H2,1-2H3.
What are the key properties of 3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide?
3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 86824893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).