N-benzyl-3,4-dimethylbenzenesulfonamide

C15H17NO2S — CID 1339279

IUPACN-benzyl-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C
InChIInChI=1S/C15H17NO2S/c1-12-8-9-15(10-13(12)2)19(17,18)16-11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3
InChIKeyRBLUIHWDGVKNAM-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.78
Rot. Bonds4

About N-benzyl-3,4-dimethylbenzenesulfonamide

N-benzyl-3,4-dimethylbenzenesulfonamide (PubChem CID 1339279) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-benzyl-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3,4-dimethylbenzenesulfonamide
PubChem CID1339279
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-benzyl-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C
InChIInChI=1S/C15H17NO2S/c1-12-8-9-15(10-13(12)2)19(17,18)16-11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3
InChIKeyRBLUIHWDGVKNAM-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-benzyl-3,4-dimethylbenzenesulfonamide (CID 1339279) is N-benzyl-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-benzyl-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C.
What is the InChIKey of N-benzyl-3,4-dimethylbenzenesulfonamide?
The InChIKey is RBLUIHWDGVKNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-12-8-9-15(10-13(12)2)19(17,18)16-11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3.
What are the key properties of N-benzyl-3,4-dimethylbenzenesulfonamide?
N-benzyl-3,4-dimethylbenzenesulfonamide has a molecular weight of 275.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 1339279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).