2-benzyl-3,4-dimethylbenzenesulfonamide

C15H17NO2S — CID 70397588

IUPAC2-benzyl-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(Cc2ccccc2)c1C
InChIInChI=1S/C15H17NO2S/c1-11-8-9-15(19(16,17)18)14(12(11)2)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,16,17,18)
InChIKeyLCAPNWUQEZFZMJ-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.54
Rot. Bonds3

About 2-benzyl-3,4-dimethylbenzenesulfonamide

2-benzyl-3,4-dimethylbenzenesulfonamide (PubChem CID 70397588) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-benzyl-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-benzyl-3,4-dimethylbenzenesulfonamide
PubChem CID70397588
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-benzyl-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(Cc2ccccc2)c1C
InChIInChI=1S/C15H17NO2S/c1-11-8-9-15(19(16,17)18)14(12(11)2)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,16,17,18)
InChIKeyLCAPNWUQEZFZMJ-UHFFFAOYSA-N
XLogP2.54
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,4-dimethylbenzenesulfonamide?
The IUPAC name of 2-benzyl-3,4-dimethylbenzenesulfonamide (CID 70397588) is 2-benzyl-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-benzyl-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for 2-benzyl-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)c(Cc2ccccc2)c1C.
What is the InChIKey of 2-benzyl-3,4-dimethylbenzenesulfonamide?
The InChIKey is LCAPNWUQEZFZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11-8-9-15(19(16,17)18)14(12(11)2)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-benzyl-3,4-dimethylbenzenesulfonamide?
2-benzyl-3,4-dimethylbenzenesulfonamide has a molecular weight of 275.37 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 70397588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).