N-ethyl-2-methylbenzenesulfonamide

C9H13NO2S — CID 14110

IUPACN-ethyl-2-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3
InChIKeyNATWUQFQFMZVMT-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.29
Rot. Bonds3

About N-ethyl-2-methylbenzenesulfonamide

N-ethyl-2-methylbenzenesulfonamide (PubChem CID 14110) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-ethyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-methylbenzenesulfonamide
PubChem CID14110
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC NameN-ethyl-2-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3
InChIKeyNATWUQFQFMZVMT-UHFFFAOYSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylbenzenesulfonamide?
The IUPAC name of N-ethyl-2-methylbenzenesulfonamide (CID 14110) is N-ethyl-2-methylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-2-methylbenzenesulfonamide?
The canonical SMILES for N-ethyl-2-methylbenzenesulfonamide is CCNS(=O)(=O)c1ccccc1C.
What is the InChIKey of N-ethyl-2-methylbenzenesulfonamide?
The InChIKey is NATWUQFQFMZVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3.
What are the key properties of N-ethyl-2-methylbenzenesulfonamide?
N-ethyl-2-methylbenzenesulfonamide has a molecular weight of 199.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 14110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).