N-(1-chloro-3-methylbutan-2-yl)cyclohexanesulfonamide

C11H22ClNO2S — CID 79267554

IUPACN-(1-chloro-3-methylbutan-2-yl)cyclohexanesulfonamide
SMILESCC(C)C(CCl)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H22ClNO2S/c1-9(2)11(8-12)13-16(14,15)10-6-4-3-5-7-10/h9-11,13H,3-8H2,1-2H3
InChIKeyAXJPJIFTJARJSP-UHFFFAOYSA-N
MW267.82 g/mol
LogP2.50
Rot. Bonds5

About N-(1-chloro-3-methylbutan-2-yl)cyclohexanesulfonamide

N-(1-chloro-3-methylbutan-2-yl)cyclohexanesulfonamide (PubChem CID 79267554) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is N-(1-chloro-3-methylbutan-2-yl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylbutan-2-yl)cyclohexanesulfonamide
PubChem CID79267554
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC NameN-(1-chloro-3-methylbutan-2-yl)cyclohexanesulfonamide
SMILESCC(C)C(CCl)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H22ClNO2S/c1-9(2)11(8-12)13-16(14,15)10-6-4-3-5-7-10/h9-11,13H,3-8H2,1-2H3
InChIKeyAXJPJIFTJARJSP-UHFFFAOYSA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 52.50
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-3-methylbutan-2-yl)cyclohexanesulfonamide?
The IUPAC name of N-(1-chloro-3-methylbutan-2-yl)cyclohexanesulfonamide (CID 79267554) is N-(1-chloro-3-methylbutan-2-yl)cyclohexanesulfonamide.
What is the SMILES notation for N-(1-chloro-3-methylbutan-2-yl)cyclohexanesulfonamide?
The canonical SMILES for N-(1-chloro-3-methylbutan-2-yl)cyclohexanesulfonamide is CC(C)C(CCl)NS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(1-chloro-3-methylbutan-2-yl)cyclohexanesulfonamide?
The InChIKey is AXJPJIFTJARJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2S/c1-9(2)11(8-12)13-16(14,15)10-6-4-3-5-7-10/h9-11,13H,3-8H2,1-2H3.
What are the key properties of N-(1-chloro-3-methylbutan-2-yl)cyclohexanesulfonamide?
N-(1-chloro-3-methylbutan-2-yl)cyclohexanesulfonamide has a molecular weight of 267.82 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylbutan-2-yl)cyclohexanesulfonamide is sourced from PubChem (CID 79267554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).