4-methyl-N-phenylbenzenesulfonamide

C13H13NO2S — CID 2456

IUPAC4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKeyVLVCWODDMDGANW-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.80
Rot. Bonds3

About 4-methyl-N-phenylbenzenesulfonamide

4-methyl-N-phenylbenzenesulfonamide (PubChem CID 2456) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-phenylbenzenesulfonamide
PubChem CID2456
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKeyVLVCWODDMDGANW-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-phenylbenzenesulfonamide (CID 2456) is 4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is VLVCWODDMDGANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3.
What are the key properties of 4-methyl-N-phenylbenzenesulfonamide?
4-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 4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).