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

C9H18ClNO2S — CID 65030985

IUPACN-(1-chloro-4-methylpentan-2-yl)cyclopropanesulfonamide
SMILESCC(C)CC(CCl)NS(=O)(=O)C1CC1
InChIInChI=1S/C9H18ClNO2S/c1-7(2)5-8(6-10)11-14(12,13)9-3-4-9/h7-9,11H,3-6H2,1-2H3
InChIKeySPJVMBJKJJMILQ-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.72
Rot. Bonds6

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

N-(1-chloro-4-methylpentan-2-yl)cyclopropanesulfonamide (PubChem CID 65030985) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)cyclopropanesulfonamide
PubChem CID65030985
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)cyclopropanesulfonamide
SMILESCC(C)CC(CCl)NS(=O)(=O)C1CC1
InChIInChI=1S/C9H18ClNO2S/c1-7(2)5-8(6-10)11-14(12,13)9-3-4-9/h7-9,11H,3-6H2,1-2H3
InChIKeySPJVMBJKJJMILQ-UHFFFAOYSA-N
XLogP1.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 51.72
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)cyclopropanesulfonamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)cyclopropanesulfonamide (CID 65030985) is N-(1-chloro-4-methylpentan-2-yl)cyclopropanesulfonamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)cyclopropanesulfonamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)cyclopropanesulfonamide is CC(C)CC(CCl)NS(=O)(=O)C1CC1.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)cyclopropanesulfonamide?
The InChIKey is SPJVMBJKJJMILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-7(2)5-8(6-10)11-14(12,13)9-3-4-9/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)cyclopropanesulfonamide?
N-(1-chloro-4-methylpentan-2-yl)cyclopropanesulfonamide has a molecular weight of 239.77 g/mol, XLogP of 1.72, 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)cyclopropanesulfonamide is sourced from PubChem (CID 65030985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).