N-(1-chloro-4-methylpentan-2-yl)cyclohexanesulfonamide

C12H24ClNO2S — CID 65030938

IUPACN-(1-chloro-4-methylpentan-2-yl)cyclohexanesulfonamide
SMILESCC(C)CC(CCl)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H24ClNO2S/c1-10(2)8-11(9-13)14-17(15,16)12-6-4-3-5-7-12/h10-12,14H,3-9H2,1-2H3
InChIKeySOCYTZVJFXAHBL-UHFFFAOYSA-N
MW281.85 g/mol
LogP2.89
Rot. Bonds6

About N-(1-chloro-4-methylpentan-2-yl)cyclohexanesulfonamide

N-(1-chloro-4-methylpentan-2-yl)cyclohexanesulfonamide (PubChem CID 65030938) has the molecular formula C12H24ClNO2S and a molecular weight of 281.85 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)cyclohexanesulfonamide
PubChem CID65030938
Molecular FormulaC12H24ClNO2S
Molecular Weight281.85 g/mol
Exact Mass281.12
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)cyclohexanesulfonamide
SMILESCC(C)CC(CCl)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H24ClNO2S/c1-10(2)8-11(9-13)14-17(15,16)12-6-4-3-5-7-12/h10-12,14H,3-9H2,1-2H3
InChIKeySOCYTZVJFXAHBL-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)cyclohexanesulfonamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)cyclohexanesulfonamide (CID 65030938) is N-(1-chloro-4-methylpentan-2-yl)cyclohexanesulfonamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)cyclohexanesulfonamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)cyclohexanesulfonamide is CC(C)CC(CCl)NS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)cyclohexanesulfonamide?
The InChIKey is SOCYTZVJFXAHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO2S/c1-10(2)8-11(9-13)14-17(15,16)12-6-4-3-5-7-12/h10-12,14H,3-9H2,1-2H3.
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)cyclohexanesulfonamide?
N-(1-chloro-4-methylpentan-2-yl)cyclohexanesulfonamide has a molecular weight of 281.85 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)cyclohexanesulfonamide is sourced from PubChem (CID 65030938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).