N-(4-phenylmethoxyphenyl)ethanesulfonamide

C15H17NO3S — CID 17375978

IUPACN-(4-phenylmethoxyphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c1-2-20(17,18)16-14-8-10-15(11-9-14)19-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3
InChIKeyOKLCJWQNAFIEJP-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.03
Rot. Bonds6

About N-(4-phenylmethoxyphenyl)ethanesulfonamide

N-(4-phenylmethoxyphenyl)ethanesulfonamide (PubChem CID 17375978) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)ethanesulfonamide
PubChem CID17375978
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(4-phenylmethoxyphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c1-2-20(17,18)16-14-8-10-15(11-9-14)19-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3
InChIKeyOKLCJWQNAFIEJP-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-Methoxyphenyl)benzenesulfonamide
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CID 42154
3-(Phenoxymethyl)aniline
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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)ethanesulfonamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)ethanesulfonamide (CID 17375978) is N-(4-phenylmethoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)ethanesulfonamide?
The InChIKey is OKLCJWQNAFIEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-2-20(17,18)16-14-8-10-15(11-9-14)19-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3.
What are the key properties of N-(4-phenylmethoxyphenyl)ethanesulfonamide?
N-(4-phenylmethoxyphenyl)ethanesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 17375978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).