2-benzylbenzenesulfonamide;methane

C14H17NO2S — CID 175312349

IUPAC2-benzylbenzenesulfonamide;methane
SMILESC.NS(=O)(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C13H13NO2S.CH4/c14-17(15,16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11;/h1-9H,10H2,(H2,14,15,16);1H4
InChIKeyWJLKHIJDHFBLMM-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.56
Rot. Bonds3

About 2-benzylbenzenesulfonamide;methane

2-benzylbenzenesulfonamide;methane (PubChem CID 175312349) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-benzylbenzenesulfonamide;methane.

Molecular Properties

Compound Name2-benzylbenzenesulfonamide;methane
PubChem CID175312349
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2-benzylbenzenesulfonamide;methane
SMILESC.NS(=O)(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C13H13NO2S.CH4/c14-17(15,16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11;/h1-9H,10H2,(H2,14,15,16);1H4
InChIKeyWJLKHIJDHFBLMM-UHFFFAOYSA-N
XLogP2.56
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 69470153
2-(naphthalen-1-ylmethyl)benzenesulfonamide
CID 69182114
2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid
CID 152904860
2-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 67935246
lithium;2-benzylphenol;hydride
CID 174706000
2-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 142811447
2-(2-bromobutyl)benzenesulfonamide
CID 63203633
2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 66960528
2-benzyl-3,4-dimethylbenzenesulfonamide
CID 70397588
4-[(2-methylphenyl)methyl]benzenesulfonamide
CID 139623698
2-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 69371931
bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane
CID 68565404

Frequently Asked Questions

What is the IUPAC name of 2-benzylbenzenesulfonamide;methane?
The IUPAC name of 2-benzylbenzenesulfonamide;methane (CID 175312349) is 2-benzylbenzenesulfonamide;methane.
What is the SMILES notation for 2-benzylbenzenesulfonamide;methane?
The canonical SMILES for 2-benzylbenzenesulfonamide;methane is C.NS(=O)(=O)c1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzylbenzenesulfonamide;methane?
The InChIKey is WJLKHIJDHFBLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S.CH4/c14-17(15,16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11;/h1-9H,10H2,(H2,14,15,16);1H4.
What are the key properties of 2-benzylbenzenesulfonamide;methane?
2-benzylbenzenesulfonamide;methane has a molecular weight of 263.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylbenzenesulfonamide;methane is sourced from PubChem (CID 175312349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).