6-chloro-N-cyclohexylhexane-1-sulfonamide

C12H24ClNO2S — CID 22111516

IUPAC6-chloro-N-cyclohexylhexane-1-sulfonamide
SMILESO=S(=O)(CCCCCCCl)NC1CCCCC1
InChIInChI=1S/C12H24ClNO2S/c13-10-6-1-2-7-11-17(15,16)14-12-8-4-3-5-9-12/h12,14H,1-11H2
InChIKeyDZFUTPFOMZNCLR-UHFFFAOYSA-N
MW281.85 g/mol
LogP3.04
Rot. Bonds8

About 6-chloro-N-cyclohexylhexane-1-sulfonamide

6-chloro-N-cyclohexylhexane-1-sulfonamide (PubChem CID 22111516) has the molecular formula C12H24ClNO2S and a molecular weight of 281.85 g/mol. Its IUPAC name is 6-chloro-N-cyclohexylhexane-1-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-cyclohexylhexane-1-sulfonamide
PubChem CID22111516
Molecular FormulaC12H24ClNO2S
Molecular Weight281.85 g/mol
Exact Mass281.12
IUPAC Name6-chloro-N-cyclohexylhexane-1-sulfonamide
SMILESO=S(=O)(CCCCCCCl)NC1CCCCC1
InChIInChI=1S/C12H24ClNO2S/c13-10-6-1-2-7-11-17(15,16)14-12-8-4-3-5-9-12/h12,14H,1-11H2
InChIKeyDZFUTPFOMZNCLR-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 53.04
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

6-chloro-N-cyclopentylhexane-1-sulfonamide
CID 22111628
1-chloro-N-cycloheptylmethanesulfonamide
CID 63666370
4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide
CID 116815650
N-cyclopropylhexane-1-sulfonamide
CID 67119181
6-bromo-N-cyclopropylhexane-1-sulfonamide
CID 22111560
2-amino-N-cyclohexylethanesulfonamide chloride
CID 53347795
4-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butane-1-sulfonamide
CID 116815513
4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide
CID 105055808
4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide
CID 116816465
3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide
CID 107858978
4-chloro-N-(3-cyclopentylpropyl)butane-1-sulfonamide
CID 105055639
3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide
CID 106364650

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexylhexane-1-sulfonamide?
The IUPAC name of 6-chloro-N-cyclohexylhexane-1-sulfonamide (CID 22111516) is 6-chloro-N-cyclohexylhexane-1-sulfonamide.
What is the SMILES notation for 6-chloro-N-cyclohexylhexane-1-sulfonamide?
The canonical SMILES for 6-chloro-N-cyclohexylhexane-1-sulfonamide is O=S(=O)(CCCCCCCl)NC1CCCCC1.
What is the InChIKey of 6-chloro-N-cyclohexylhexane-1-sulfonamide?
The InChIKey is DZFUTPFOMZNCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO2S/c13-10-6-1-2-7-11-17(15,16)14-12-8-4-3-5-9-12/h12,14H,1-11H2.
What are the key properties of 6-chloro-N-cyclohexylhexane-1-sulfonamide?
6-chloro-N-cyclohexylhexane-1-sulfonamide has a molecular weight of 281.85 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexylhexane-1-sulfonamide is sourced from PubChem (CID 22111516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).