4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide

C16H26ClNO2S — CID 19681669

IUPAC4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C16H26ClNO2S/c1-5-7-8-14(6-2)11-18-21(19,20)16-10-12(3)15(17)9-13(16)4/h9-10,14,18H,5-8,11H2,1-4H3
InChIKeyIDGBFEIIDMAMST-UHFFFAOYSA-N
MW331.91 g/mol
LogP4.45
Rot. Bonds8

About 4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide

4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 19681669) has the molecular formula C16H26ClNO2S and a molecular weight of 331.91 g/mol. Its IUPAC name is 4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide
PubChem CID19681669
Molecular FormulaC16H26ClNO2S
Molecular Weight331.91 g/mol
Exact Mass331.14
IUPAC Name4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C16H26ClNO2S/c1-5-7-8-14(6-2)11-18-21(19,20)16-10-12(3)15(17)9-13(16)4/h9-10,14,18H,5-8,11H2,1-4H3
InChIKeyIDGBFEIIDMAMST-UHFFFAOYSA-N
XLogP4.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.91
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 107819725
4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide
CID 19681262
5-(aminomethyl)-N-(2-ethylhexyl)-2-methylbenzenesulfonamide
CID 107818750
N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide
CID 5144200
4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide
CID 3465021
4-chloro-2,5-dimethyl-N-octan-2-ylbenzenesulfonamide
CID 19684239
N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 19681666
3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
CID 107816800
N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide
CID 19681648
2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide
CID 59079350
5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide
CID 107818702
N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
CID 42955218

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide (CID 19681669) is 4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide is CCCCC(CC)CNS(=O)(=O)c1cc(C)c(Cl)cc1C.
What is the InChIKey of 4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is IDGBFEIIDMAMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2S/c1-5-7-8-14(6-2)11-18-21(19,20)16-10-12(3)15(17)9-13(16)4/h9-10,14,18H,5-8,11H2,1-4H3.
What are the key properties of 4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide?
4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 331.91 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 19681669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).