2-methyl-N-phenylbenzenesulfonamide

C13H13NO2S — CID 3017048

IUPAC2-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C13H13NO2S/c1-11-7-5-6-10-13(11)17(15,16)14-12-8-3-2-4-9-12/h2-10,14H,1H3
InChIKeyKLWUWNHLZITTHU-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.80
Rot. Bonds3

About 2-methyl-N-phenylbenzenesulfonamide

2-methyl-N-phenylbenzenesulfonamide (PubChem CID 3017048) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-phenylbenzenesulfonamide
PubChem CID3017048
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name2-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C13H13NO2S/c1-11-7-5-6-10-13(11)17(15,16)14-12-8-3-2-4-9-12/h2-10,14H,1H3
InChIKeyKLWUWNHLZITTHU-UHFFFAOYSA-N
XLogP2.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
CID 58646057
N-(3-aminophenyl)-2-methylbenzenesulfonamide
CID 39362189
2,4,5-trimethyl-N-phenylbenzenesulfonamide
CID 35725783
2-methyl-N-(4-propylphenyl)benzenesulfonamide
CID 62999654
2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 990525
sodium 4-[(2-methylphenyl)sulfonylamino]benzoate
CID 23687871
N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide
CID 112988408
N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide
CID 39375386
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide
CID 110352354
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 2-methyl-N-phenylbenzenesulfonamide (CID 3017048) is 2-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 2-methyl-N-phenylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-N-phenylbenzenesulfonamide?
The InChIKey is KLWUWNHLZITTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-11-7-5-6-10-13(11)17(15,16)14-12-8-3-2-4-9-12/h2-10,14H,1H3.
What are the key properties of 2-methyl-N-phenylbenzenesulfonamide?
2-methyl-N-phenylbenzenesulfonamide has a molecular weight of 247.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 3017048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).