2,5-dichloro-N-(2-methylpentan-2-yl)benzenesulfonamide

C12H17Cl2NO2S — CID 167068213

IUPAC2,5-dichloro-N-(2-methylpentan-2-yl)benzenesulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO2S/c1-4-7-12(2,3)15-18(16,17)11-8-9(13)5-6-10(11)14/h5-6,8,15H,4,7H2,1-3H3
InChIKeyFRCYNVAOMZXPIZ-UHFFFAOYSA-N
MW310.25 g/mol
LogP3.85
Rot. Bonds5

About 2,5-dichloro-N-(2-methylpentan-2-yl)benzenesulfonamide

2,5-dichloro-N-(2-methylpentan-2-yl)benzenesulfonamide (PubChem CID 167068213) has the molecular formula C12H17Cl2NO2S and a molecular weight of 310.25 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methylpentan-2-yl)benzenesulfonamide
PubChem CID167068213
Molecular FormulaC12H17Cl2NO2S
Molecular Weight310.25 g/mol
Exact Mass309.04
IUPAC Name2,5-dichloro-N-(2-methylpentan-2-yl)benzenesulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO2S/c1-4-7-12(2,3)15-18(16,17)11-8-9(13)5-6-10(11)14/h5-6,8,15H,4,7H2,1-3H3
InChIKeyFRCYNVAOMZXPIZ-UHFFFAOYSA-N
XLogP3.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-methylpentan-2-yl)benzenesulfonamide (CID 167068213) is 2,5-dichloro-N-(2-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-methylpentan-2-yl)benzenesulfonamide is CCCC(C)(C)NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is FRCYNVAOMZXPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2S/c1-4-7-12(2,3)15-18(16,17)11-8-9(13)5-6-10(11)14/h5-6,8,15H,4,7H2,1-3H3.
What are the key properties of 2,5-dichloro-N-(2-methylpentan-2-yl)benzenesulfonamide?
2,5-dichloro-N-(2-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 310.25 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 167068213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).