N-(3-methylphenyl)-2-phenoxyethanesulfonamide

C15H17NO3S — CID 90518173

IUPACN-(3-methylphenyl)-2-phenoxyethanesulfonamide
SMILESCc1cccc(NS(=O)(=O)CCOc2ccccc2)c1
InChIInChI=1S/C15H17NO3S/c1-13-6-5-7-14(12-13)16-20(17,18)11-10-19-15-8-3-2-4-9-15/h2-9,12,16H,10-11H2,1H3
InChIKeyPKECWYYLSDWWTA-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.82
Rot. Bonds6

About N-(3-methylphenyl)-2-phenoxyethanesulfonamide

N-(3-methylphenyl)-2-phenoxyethanesulfonamide (PubChem CID 90518173) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-phenoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-phenoxyethanesulfonamide
PubChem CID90518173
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(3-methylphenyl)-2-phenoxyethanesulfonamide
SMILESCc1cccc(NS(=O)(=O)CCOc2ccccc2)c1
InChIInChI=1S/C15H17NO3S/c1-13-6-5-7-14(12-13)16-20(17,18)11-10-19-15-8-3-2-4-9-15/h2-9,12,16H,10-11H2,1H3
InChIKeyPKECWYYLSDWWTA-UHFFFAOYSA-N
XLogP2.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide
CID 90518388
N-(3-bromophenyl)-2-phenoxyethanesulfonamide
CID 56764854
N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide
CID 90518196
N-(4-anilinophenyl)-2-phenoxyethanesulfonamide
CID 90518272
4-chloro-N-(3-methylphenyl)butane-1-sulfonamide
CID 116815142
2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide
CID 122286241
3-iodo-N-(3-methylphenyl)propane-1-sulfonamide
CID 146534327
2-chloro-N-(3-propoxyphenyl)ethanesulfonamide
CID 107651359
N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide
CID 39320103
2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide
CID 39373158
2-(4-aminophenoxy)-N-(5-methyl-3-pyridinyl)ethanesulfonamide
CID 107584551
2-(4-ethylphenoxy)-N-(3-nitrophenyl)ethanesulfonamide
CID 90518747

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-phenoxyethanesulfonamide?
The IUPAC name of N-(3-methylphenyl)-2-phenoxyethanesulfonamide (CID 90518173) is N-(3-methylphenyl)-2-phenoxyethanesulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-2-phenoxyethanesulfonamide?
The canonical SMILES for N-(3-methylphenyl)-2-phenoxyethanesulfonamide is Cc1cccc(NS(=O)(=O)CCOc2ccccc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-phenoxyethanesulfonamide?
The InChIKey is PKECWYYLSDWWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-13-6-5-7-14(12-13)16-20(17,18)11-10-19-15-8-3-2-4-9-15/h2-9,12,16H,10-11H2,1H3.
What are the key properties of N-(3-methylphenyl)-2-phenoxyethanesulfonamide?
N-(3-methylphenyl)-2-phenoxyethanesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-phenoxyethanesulfonamide is sourced from PubChem (CID 90518173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).