N-(2-chloroethyl)-N-pentan-3-ylcyclohexanesulfonamide

C13H26ClNO2S — CID 55187273

IUPACN-(2-chloroethyl)-N-pentan-3-ylcyclohexanesulfonamide
SMILESCCC(CC)N(CCCl)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H26ClNO2S/c1-3-12(4-2)15(11-10-14)18(16,17)13-8-6-5-7-9-13/h12-13H,3-11H2,1-2H3
InChIKeyXLRWDMBLSDPQQA-UHFFFAOYSA-N
MW295.88 g/mol
LogP3.38
Rot. Bonds7

About N-(2-chloroethyl)-N-pentan-3-ylcyclohexanesulfonamide

N-(2-chloroethyl)-N-pentan-3-ylcyclohexanesulfonamide (PubChem CID 55187273) has the molecular formula C13H26ClNO2S and a molecular weight of 295.88 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-pentan-3-ylcyclohexanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-pentan-3-ylcyclohexanesulfonamide
PubChem CID55187273
Molecular FormulaC13H26ClNO2S
Molecular Weight295.88 g/mol
Exact Mass295.14
IUPAC NameN-(2-chloroethyl)-N-pentan-3-ylcyclohexanesulfonamide
SMILESCCC(CC)N(CCCl)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H26ClNO2S/c1-3-12(4-2)15(11-10-14)18(16,17)13-8-6-5-7-9-13/h12-13H,3-11H2,1-2H3
InChIKeyXLRWDMBLSDPQQA-UHFFFAOYSA-N
XLogP3.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.88
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-4,4,4-trifluoro-N-pentan-3-ylbutane-1-sulfonamide
CID 83057943
N-(2-chloroethyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83058808
6-chloro-N,N-dipropylhexane-1-sulfonamide
CID 22111613
2-chloro-N-ethyl-N-hexylethanesulfonamide
CID 88604331
N-butyl-3-chloro-N-propan-2-ylpropane-1-sulfonamide
CID 89281605
(2R)-1-(3-chloropropylsulfonyl)-2-methylpiperidine
CID 28704636
(2S)-1-(3-chloropropylsulfonyl)-2-methylpiperidine
CID 28704637
3-chloro-N-methyl-N-pentan-3-ylpropane-1-sulfonamide
CID 43653882
3-chloro-N-methyl-N-pentan-2-ylpropane-1-sulfonamide
CID 43653897
1-(3-Chloropropylsulfonyl)-2-methylpiperidine
CID 43653934
3-chloro-N,N-dicyclohexylpropane-1-sulfonamide
CID 43653962
3-chloro-N-cyclohexyl-N-methylpropane-1-sulfonamide
CID 43654418

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-pentan-3-ylcyclohexanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-pentan-3-ylcyclohexanesulfonamide (CID 55187273) is N-(2-chloroethyl)-N-pentan-3-ylcyclohexanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-pentan-3-ylcyclohexanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-pentan-3-ylcyclohexanesulfonamide is CCC(CC)N(CCCl)S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-pentan-3-ylcyclohexanesulfonamide?
The InChIKey is XLRWDMBLSDPQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO2S/c1-3-12(4-2)15(11-10-14)18(16,17)13-8-6-5-7-9-13/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-pentan-3-ylcyclohexanesulfonamide?
N-(2-chloroethyl)-N-pentan-3-ylcyclohexanesulfonamide has a molecular weight of 295.88 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-pentan-3-ylcyclohexanesulfonamide is sourced from PubChem (CID 55187273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).