2,3,4-trimethyl-6-phenylbenzenesulfonamide

C15H17NO2S — CID 175248725

IUPAC2,3,4-trimethyl-6-phenylbenzenesulfonamide
SMILESCc1cc(-c2ccccc2)c(S(N)(=O)=O)c(C)c1C
InChIInChI=1S/C15H17NO2S/c1-10-9-14(13-7-5-4-6-8-13)15(19(16,17)18)12(3)11(10)2/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyHSZNKHIYXMABKA-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.93
Rot. Bonds2

About 2,3,4-trimethyl-6-phenylbenzenesulfonamide

2,3,4-trimethyl-6-phenylbenzenesulfonamide (PubChem CID 175248725) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2,3,4-trimethyl-6-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trimethyl-6-phenylbenzenesulfonamide
PubChem CID175248725
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2,3,4-trimethyl-6-phenylbenzenesulfonamide
SMILESCc1cc(-c2ccccc2)c(S(N)(=O)=O)c(C)c1C
InChIInChI=1S/C15H17NO2S/c1-10-9-14(13-7-5-4-6-8-13)15(19(16,17)18)12(3)11(10)2/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyHSZNKHIYXMABKA-UHFFFAOYSA-N
XLogP2.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-6-phenylbenzenesulfonamide?
The IUPAC name of 2,3,4-trimethyl-6-phenylbenzenesulfonamide (CID 175248725) is 2,3,4-trimethyl-6-phenylbenzenesulfonamide.
What is the SMILES notation for 2,3,4-trimethyl-6-phenylbenzenesulfonamide?
The canonical SMILES for 2,3,4-trimethyl-6-phenylbenzenesulfonamide is Cc1cc(-c2ccccc2)c(S(N)(=O)=O)c(C)c1C.
What is the InChIKey of 2,3,4-trimethyl-6-phenylbenzenesulfonamide?
The InChIKey is HSZNKHIYXMABKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10-9-14(13-7-5-4-6-8-13)15(19(16,17)18)12(3)11(10)2/h4-9H,1-3H3,(H2,16,17,18).
What are the key properties of 2,3,4-trimethyl-6-phenylbenzenesulfonamide?
2,3,4-trimethyl-6-phenylbenzenesulfonamide has a molecular weight of 275.37 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-6-phenylbenzenesulfonamide is sourced from PubChem (CID 175248725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).