4-chloro-N-(2,4-dimethylpentan-3-yl)benzenesulfonamide

C13H20ClNO2S — CID 880369

IUPAC4-chloro-N-(2,4-dimethylpentan-3-yl)benzenesulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C13H20ClNO2S/c1-9(2)13(10(3)4)15-18(16,17)12-7-5-11(14)6-8-12/h5-10,13,15H,1-4H3
InChIKeyPRSOGIXUXMWCJL-UHFFFAOYSA-N
MW289.83 g/mol
LogP3.30
Rot. Bonds5

About 4-chloro-N-(2,4-dimethylpentan-3-yl)benzenesulfonamide

4-chloro-N-(2,4-dimethylpentan-3-yl)benzenesulfonamide (PubChem CID 880369) has the molecular formula C13H20ClNO2S and a molecular weight of 289.83 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dimethylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-dimethylpentan-3-yl)benzenesulfonamide
PubChem CID880369
Molecular FormulaC13H20ClNO2S
Molecular Weight289.83 g/mol
Exact Mass289.09
IUPAC Name4-chloro-N-(2,4-dimethylpentan-3-yl)benzenesulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C13H20ClNO2S/c1-9(2)13(10(3)4)15-18(16,17)12-7-5-11(14)6-8-12/h5-10,13,15H,1-4H3
InChIKeyPRSOGIXUXMWCJL-UHFFFAOYSA-N
XLogP3.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dimethylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,4-dimethylpentan-3-yl)benzenesulfonamide (CID 880369) is 4-chloro-N-(2,4-dimethylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,4-dimethylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,4-dimethylpentan-3-yl)benzenesulfonamide is CC(C)C(NS(=O)(=O)c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 4-chloro-N-(2,4-dimethylpentan-3-yl)benzenesulfonamide?
The InChIKey is PRSOGIXUXMWCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2S/c1-9(2)13(10(3)4)15-18(16,17)12-7-5-11(14)6-8-12/h5-10,13,15H,1-4H3.
What are the key properties of 4-chloro-N-(2,4-dimethylpentan-3-yl)benzenesulfonamide?
4-chloro-N-(2,4-dimethylpentan-3-yl)benzenesulfonamide has a molecular weight of 289.83 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dimethylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 880369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).