2,3,4-trimethylbenzenesulfonamide

C9H13NO2S — CID 13310193

IUPAC2,3,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(C)c1C
InChIInChI=1S/C9H13NO2S/c1-6-4-5-9(13(10,11)12)8(3)7(6)2/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyYVPCBKFAEZPHLB-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.26
Rot. Bonds1

About 2,3,4-trimethylbenzenesulfonamide

2,3,4-trimethylbenzenesulfonamide (PubChem CID 13310193) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2,3,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trimethylbenzenesulfonamide
PubChem CID13310193
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2,3,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(C)c1C
InChIInChI=1S/C9H13NO2S/c1-6-4-5-9(13(10,11)12)8(3)7(6)2/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyYVPCBKFAEZPHLB-UHFFFAOYSA-N
XLogP1.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylbenzenesulfonamide?
The IUPAC name of 2,3,4-trimethylbenzenesulfonamide (CID 13310193) is 2,3,4-trimethylbenzenesulfonamide.
What is the SMILES notation for 2,3,4-trimethylbenzenesulfonamide?
The canonical SMILES for 2,3,4-trimethylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)c(C)c1C.
What is the InChIKey of 2,3,4-trimethylbenzenesulfonamide?
The InChIKey is YVPCBKFAEZPHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6-4-5-9(13(10,11)12)8(3)7(6)2/h4-5H,1-3H3,(H2,10,11,12).
What are the key properties of 2,3,4-trimethylbenzenesulfonamide?
2,3,4-trimethylbenzenesulfonamide has a molecular weight of 199.28 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 13310193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).