5-ethyl-2,3-dimethylbenzenesulfonamide

C10H15NO2S — CID 58109757

IUPAC5-ethyl-2,3-dimethylbenzenesulfonamide
SMILESCCc1cc(C)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C10H15NO2S/c1-4-9-5-7(2)8(3)10(6-9)14(11,12)13/h5-6H,4H2,1-3H3,(H2,11,12,13)
InChIKeyWTRROVRGLBDOGW-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.51
Rot. Bonds2

About 5-ethyl-2,3-dimethylbenzenesulfonamide

5-ethyl-2,3-dimethylbenzenesulfonamide (PubChem CID 58109757) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-ethyl-2,3-dimethylbenzenesulfonamide
PubChem CID58109757
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name5-ethyl-2,3-dimethylbenzenesulfonamide
SMILESCCc1cc(C)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C10H15NO2S/c1-4-9-5-7(2)8(3)10(6-9)14(11,12)13/h5-6H,4H2,1-3H3,(H2,11,12,13)
InChIKeyWTRROVRGLBDOGW-UHFFFAOYSA-N
XLogP1.51
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-ethyl-2,3-dimethylbenzenesulfonamide (CID 58109757) is 5-ethyl-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-ethyl-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-ethyl-2,3-dimethylbenzenesulfonamide is CCc1cc(C)c(C)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-ethyl-2,3-dimethylbenzenesulfonamide?
The InChIKey is WTRROVRGLBDOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-4-9-5-7(2)8(3)10(6-9)14(11,12)13/h5-6H,4H2,1-3H3,(H2,11,12,13).
What are the key properties of 5-ethyl-2,3-dimethylbenzenesulfonamide?
5-ethyl-2,3-dimethylbenzenesulfonamide has a molecular weight of 213.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 58109757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).