N-benzyl-N-phenylmethanesulfonamide;ethane

C16H21NO2S — CID 142134956

IUPACN-benzyl-N-phenylmethanesulfonamide;ethane
SMILESCC.CS(=O)(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15NO2S.C2H6/c1-18(16,17)15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13;1-2/h2-11H,12H2,1H3;1-2H3
InChIKeyPZYBZJNTGKFXTI-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.68
Rot. Bonds4

About N-benzyl-N-phenylmethanesulfonamide;ethane

N-benzyl-N-phenylmethanesulfonamide;ethane (PubChem CID 142134956) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-benzyl-N-phenylmethanesulfonamide;ethane.

Molecular Properties

Compound NameN-benzyl-N-phenylmethanesulfonamide;ethane
PubChem CID142134956
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-benzyl-N-phenylmethanesulfonamide;ethane
SMILESCC.CS(=O)(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15NO2S.C2H6/c1-18(16,17)15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13;1-2/h2-11H,12H2,1H3;1-2H3
InChIKeyPZYBZJNTGKFXTI-UHFFFAOYSA-N
XLogP3.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
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[4-[methylsulfonyl-[(4-phenylmethoxyphenyl)methyl]amino]phenyl] methanesulfonate
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N-benzyl-N-(2-methoxyphenyl)methanesulfonamide
CID 6459309
N-benzyl-2-methoxy-N-phenylethanesulfonamide
CID 110300125
N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1106193
4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide
CID 133243740
4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide
CID 1363161
4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 1106273
N-benzyl-2-(4-chloro-N-methylsulfonylanilino)-N-methylacetamide
CID 30168789
N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 21372396
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CID 22202594

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-phenylmethanesulfonamide;ethane?
The IUPAC name of N-benzyl-N-phenylmethanesulfonamide;ethane (CID 142134956) is N-benzyl-N-phenylmethanesulfonamide;ethane.
What is the SMILES notation for N-benzyl-N-phenylmethanesulfonamide;ethane?
The canonical SMILES for N-benzyl-N-phenylmethanesulfonamide;ethane is CC.CS(=O)(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-phenylmethanesulfonamide;ethane?
The InChIKey is PZYBZJNTGKFXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S.C2H6/c1-18(16,17)15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13;1-2/h2-11H,12H2,1H3;1-2H3.
What are the key properties of N-benzyl-N-phenylmethanesulfonamide;ethane?
N-benzyl-N-phenylmethanesulfonamide;ethane has a molecular weight of 291.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-phenylmethanesulfonamide;ethane is sourced from PubChem (CID 142134956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).