4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide

C14H28ClNO2S — CID 116816465

IUPAC4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide
SMILESCC1(C)CC(NS(=O)(=O)CCCCCl)CC(C)(C)C1
InChIInChI=1S/C14H28ClNO2S/c1-13(2)9-12(10-14(3,4)11-13)16-19(17,18)8-6-5-7-15/h12,16H,5-11H2,1-4H3
InChIKeyFPIOEAGVRPRJCS-UHFFFAOYSA-N
MW309.90 g/mol
LogP3.53
Rot. Bonds6

About 4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide

4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide (PubChem CID 116816465) has the molecular formula C14H28ClNO2S and a molecular weight of 309.90 g/mol. Its IUPAC name is 4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide
PubChem CID116816465
Molecular FormulaC14H28ClNO2S
Molecular Weight309.90 g/mol
Exact Mass309.15
IUPAC Name4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide
SMILESCC1(C)CC(NS(=O)(=O)CCCCCl)CC(C)(C)C1
InChIInChI=1S/C14H28ClNO2S/c1-13(2)9-12(10-14(3,4)11-13)16-19(17,18)8-6-5-7-15/h12,16H,5-11H2,1-4H3
InChIKeyFPIOEAGVRPRJCS-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.90
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide
CID 106077359
methyl 4-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]butanoate
CID 115919099
6-chloro-N-cyclopentylhexane-1-sulfonamide
CID 22111628
6-chloro-N-cyclohexylhexane-1-sulfonamide
CID 22111516
2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid
CID 103965500
N-(2,2,6,6-tetramethylpiperidin-4-yl)dodecane-1-sulfonamide
CID 20789888
N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide
CID 114552211
N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide
CID 115881104
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114552097
methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate
CID 115881165
4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide
CID 116815650
4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide
CID 105055808

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide (CID 116816465) is 4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide is CC1(C)CC(NS(=O)(=O)CCCCCl)CC(C)(C)C1.
What is the InChIKey of 4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide?
The InChIKey is FPIOEAGVRPRJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO2S/c1-13(2)9-12(10-14(3,4)11-13)16-19(17,18)8-6-5-7-15/h12,16H,5-11H2,1-4H3.
What are the key properties of 4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide?
4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide has a molecular weight of 309.90 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide is sourced from PubChem (CID 116816465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).