N-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide

C12H24ClNO2S — CID 106136264

IUPACN-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NCC1CCC(Cl)CC1
InChIInChI=1S/C12H24ClNO2S/c1-12(2,3)9-17(15,16)14-8-10-4-6-11(13)7-5-10/h10-11,14H,4-9H2,1-3H3
InChIKeyWIFKVQGVFKKHRA-UHFFFAOYSA-N
MW281.85 g/mol
LogP2.75
Rot. Bonds4

About N-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide

N-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide (PubChem CID 106136264) has the molecular formula C12H24ClNO2S and a molecular weight of 281.85 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide
PubChem CID106136264
Molecular FormulaC12H24ClNO2S
Molecular Weight281.85 g/mol
Exact Mass281.12
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NCC1CCC(Cl)CC1
InChIInChI=1S/C12H24ClNO2S/c1-12(2,3)9-17(15,16)14-8-10-4-6-11(13)7-5-10/h10-11,14H,4-9H2,1-3H3
InChIKeyWIFKVQGVFKKHRA-UHFFFAOYSA-N
XLogP2.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorocyclopentyl)methyl]methanesulfonamide
CID 106135282
N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide
CID 106136203
N-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide
CID 66005889
N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 106136234
2-(cyclopropylmethylsulfamoyl)acetic acid
CID 28773531
N-[(4-chlorocyclohexyl)methyl]oxane-4-sulfonamide
CID 114148389
2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide
CID 114700166
N-[(4-chlorocyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 106133562
N-[(4-chlorocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide
CID 106136195
N-(cyclohexylmethyl)ethanesulfonamide
CID 6466313
N-[(4-chlorocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 106136198
N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
CID 114148380

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide (CID 106136264) is N-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide is CC(C)(C)CS(=O)(=O)NCC1CCC(Cl)CC1.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is WIFKVQGVFKKHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO2S/c1-12(2,3)9-17(15,16)14-8-10-4-6-11(13)7-5-10/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide?
N-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 281.85 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 106136264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).