2-chloro-5-ethyl-N-(2-methylpentan-2-yl)benzenesulfonamide

C14H22ClNO2S — CID 167068186

IUPAC2-chloro-5-ethyl-N-(2-methylpentan-2-yl)benzenesulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1cc(CC)ccc1Cl
InChIInChI=1S/C14H22ClNO2S/c1-5-9-14(3,4)16-19(17,18)13-10-11(6-2)7-8-12(13)15/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyBEJWBLVGSUWJOD-UHFFFAOYSA-N
MW303.86 g/mol
LogP3.76
Rot. Bonds6

About 2-chloro-5-ethyl-N-(2-methylpentan-2-yl)benzenesulfonamide

2-chloro-5-ethyl-N-(2-methylpentan-2-yl)benzenesulfonamide (PubChem CID 167068186) has the molecular formula C14H22ClNO2S and a molecular weight of 303.86 g/mol. Its IUPAC name is 2-chloro-5-ethyl-N-(2-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-ethyl-N-(2-methylpentan-2-yl)benzenesulfonamide
PubChem CID167068186
Molecular FormulaC14H22ClNO2S
Molecular Weight303.86 g/mol
Exact Mass303.11
IUPAC Name2-chloro-5-ethyl-N-(2-methylpentan-2-yl)benzenesulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1cc(CC)ccc1Cl
InChIInChI=1S/C14H22ClNO2S/c1-5-9-14(3,4)16-19(17,18)13-10-11(6-2)7-8-12(13)15/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyBEJWBLVGSUWJOD-UHFFFAOYSA-N
XLogP3.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.86
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethyl-N-(2-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-ethyl-N-(2-methylpentan-2-yl)benzenesulfonamide (CID 167068186) is 2-chloro-5-ethyl-N-(2-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-ethyl-N-(2-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-ethyl-N-(2-methylpentan-2-yl)benzenesulfonamide is CCCC(C)(C)NS(=O)(=O)c1cc(CC)ccc1Cl.
What is the InChIKey of 2-chloro-5-ethyl-N-(2-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is BEJWBLVGSUWJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2S/c1-5-9-14(3,4)16-19(17,18)13-10-11(6-2)7-8-12(13)15/h7-8,10,16H,5-6,9H2,1-4H3.
What are the key properties of 2-chloro-5-ethyl-N-(2-methylpentan-2-yl)benzenesulfonamide?
2-chloro-5-ethyl-N-(2-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 303.86 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethyl-N-(2-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 167068186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).