N-(3-methoxy-4-phenylphenyl)ethanesulfonamide

C15H17NO3S — CID 71225607

IUPACN-(3-methoxy-4-phenylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2ccccc2)c(OC)c1
InChIInChI=1S/C15H17NO3S/c1-3-20(17,18)16-13-9-10-14(15(11-13)19-2)12-7-5-4-6-8-12/h4-11,16H,3H2,1-2H3
InChIKeyBFRKFVQUOWNKLW-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.12
Rot. Bonds5

About N-(3-methoxy-4-phenylphenyl)ethanesulfonamide

N-(3-methoxy-4-phenylphenyl)ethanesulfonamide (PubChem CID 71225607) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(3-methoxy-4-phenylphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-4-phenylphenyl)ethanesulfonamide
PubChem CID71225607
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(3-methoxy-4-phenylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2ccccc2)c(OC)c1
InChIInChI=1S/C15H17NO3S/c1-3-20(17,18)16-13-9-10-14(15(11-13)19-2)12-7-5-4-6-8-12/h4-11,16H,3H2,1-2H3
InChIKeyBFRKFVQUOWNKLW-UHFFFAOYSA-N
XLogP3.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-phenylbenzenesulfonyl chloride
CID 115059705
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,2-diphenylacetamide
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2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide
CID 168520198
2-[[4-(ethylsulfonylamino)-2-methoxyphenyl]sulfonylamino]-3-phenylpropanamide
CID 71906880
N-(2,3-diphenylquinoxalin-6-yl)ethanesulfonamide
CID 71295981
N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
CID 107623369
N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide
CID 43604998
N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113048906
N-(5-phenyl-3-pyridinyl)ethanesulfonamide
CID 110713738
N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide
CID 6468600
2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide
CID 107650750

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-phenylphenyl)ethanesulfonamide?
The IUPAC name of N-(3-methoxy-4-phenylphenyl)ethanesulfonamide (CID 71225607) is N-(3-methoxy-4-phenylphenyl)ethanesulfonamide.
What is the SMILES notation for N-(3-methoxy-4-phenylphenyl)ethanesulfonamide?
The canonical SMILES for N-(3-methoxy-4-phenylphenyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc(-c2ccccc2)c(OC)c1.
What is the InChIKey of N-(3-methoxy-4-phenylphenyl)ethanesulfonamide?
The InChIKey is BFRKFVQUOWNKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-20(17,18)16-13-9-10-14(15(11-13)19-2)12-7-5-4-6-8-12/h4-11,16H,3H2,1-2H3.
What are the key properties of N-(3-methoxy-4-phenylphenyl)ethanesulfonamide?
N-(3-methoxy-4-phenylphenyl)ethanesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-phenylphenyl)ethanesulfonamide is sourced from PubChem (CID 71225607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).