N-[(4-phenylphenyl)methyl]ethanesulfonamide

C15H17NO2S — CID 110781116

IUPACN-[(4-phenylphenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H17NO2S/c1-2-19(17,18)16-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3
InChIKeyBVNHJWGJXATHFX-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.79
Rot. Bonds5

About N-[(4-phenylphenyl)methyl]ethanesulfonamide

N-[(4-phenylphenyl)methyl]ethanesulfonamide (PubChem CID 110781116) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[(4-phenylphenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(4-phenylphenyl)methyl]ethanesulfonamide
PubChem CID110781116
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[(4-phenylphenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H17NO2S/c1-2-19(17,18)16-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3
InChIKeyBVNHJWGJXATHFX-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-phenylphenyl)methyl]sulfamoyl fluoride
CID 138664404
2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine
CID 103643079
N-[[4-(1-chloroisoquinolin-3-yl)phenyl]methyl]ethanesulfonamide
CID 22502932
N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1488551
N-[(4-nitrophenyl)methyl]ethanesulfonamide
CID 47372696
N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide
CID 47371785
N-benzyl-1-bromomethanesulfonamide
CID 75373678
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
3-[4-[(ethylsulfonylamino)methyl]anilino]-3-oxopropanoic acid
CID 21074179
N-benzylpentadecane-1-sulfonamide
CID 14025944
N-[(4-butoxyphenyl)methyl]ethanesulfonamide
CID 110781180
benzylsulfamic acid;ethane
CID 154691965

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylphenyl)methyl]ethanesulfonamide?
The IUPAC name of N-[(4-phenylphenyl)methyl]ethanesulfonamide (CID 110781116) is N-[(4-phenylphenyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(4-phenylphenyl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(4-phenylphenyl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(4-phenylphenyl)methyl]ethanesulfonamide?
The InChIKey is BVNHJWGJXATHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-2-19(17,18)16-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3.
What are the key properties of N-[(4-phenylphenyl)methyl]ethanesulfonamide?
N-[(4-phenylphenyl)methyl]ethanesulfonamide has a molecular weight of 275.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylphenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 110781116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).