4-chloro-N-ethyl-2,5-dimethylbenzenesulfonamide

C10H14ClNO2S — CID 6473238

IUPAC4-chloro-N-ethyl-2,5-dimethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C10H14ClNO2S/c1-4-12-15(13,14)10-6-7(2)9(11)5-8(10)3/h5-6,12H,4H2,1-3H3
InChIKeyORDKAVWCIXFVGS-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.26
Rot. Bonds3

About 4-chloro-N-ethyl-2,5-dimethylbenzenesulfonamide

4-chloro-N-ethyl-2,5-dimethylbenzenesulfonamide (PubChem CID 6473238) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 4-chloro-N-ethyl-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-2,5-dimethylbenzenesulfonamide
PubChem CID6473238
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name4-chloro-N-ethyl-2,5-dimethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C10H14ClNO2S/c1-4-12-15(13,14)10-6-7(2)9(11)5-8(10)3/h5-6,12H,4H2,1-3H3
InChIKeyORDKAVWCIXFVGS-UHFFFAOYSA-N
XLogP2.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-ethyl-2,5-dimethylbenzenesulfonamide (CID 6473238) is 4-chloro-N-ethyl-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-ethyl-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-ethyl-2,5-dimethylbenzenesulfonamide is CCNS(=O)(=O)c1cc(C)c(Cl)cc1C.
What is the InChIKey of 4-chloro-N-ethyl-2,5-dimethylbenzenesulfonamide?
The InChIKey is ORDKAVWCIXFVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-4-12-15(13,14)10-6-7(2)9(11)5-8(10)3/h5-6,12H,4H2,1-3H3.
What are the key properties of 4-chloro-N-ethyl-2,5-dimethylbenzenesulfonamide?
4-chloro-N-ethyl-2,5-dimethylbenzenesulfonamide has a molecular weight of 247.75 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 6473238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).