3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide

C16H18ClNO2S — CID 60532850

IUPAC3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1cccc(Cl)c1C
InChIInChI=1S/C16H18ClNO2S/c1-4-13-8-5-7-11(2)16(13)18-21(19,20)15-10-6-9-14(17)12(15)3/h5-10,18H,4H2,1-3H3
InChIKeyTULMUBOAJXMPKT-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.32
Rot. Bonds4

About 3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide

3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide (PubChem CID 60532850) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
PubChem CID60532850
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1cccc(Cl)c1C
InChIInChI=1S/C16H18ClNO2S/c1-4-13-8-5-7-11(2)16(13)18-21(19,20)15-10-6-9-14(17)12(15)3/h5-10,18H,4H2,1-3H3
InChIKeyTULMUBOAJXMPKT-UHFFFAOYSA-N
XLogP4.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 26952400
N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448215
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 17257579
1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 63665094
3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 86824893
N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 121380359
2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide
CID 43456385
4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 43258104
N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide
CID 5218600
3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532748
N-(2-ethyl-6-methylphenyl)-5-fluorothiophene-2-sulfonamide
CID 91969496
3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide
CID 11702579

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide (CID 60532850) is 3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide is CCc1cccc(C)c1NS(=O)(=O)c1cccc(Cl)c1C.
What is the InChIKey of 3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is TULMUBOAJXMPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-4-13-8-5-7-11(2)16(13)18-21(19,20)15-10-6-9-14(17)12(15)3/h5-10,18H,4H2,1-3H3.
What are the key properties of 3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide?
3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 323.85 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 60532850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).