3-chloro-N-cyclohexylpropane-1-sulfonamide

C9H18ClNO2S — CID 43653931

IUPAC3-chloro-N-cyclohexylpropane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NC1CCCCC1
InChIInChI=1S/C9H18ClNO2S/c10-7-4-8-14(12,13)11-9-5-2-1-3-6-9/h9,11H,1-8H2
InChIKeyTUDRAGZGMYUDCJ-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.87
Rot. Bonds5

About 3-chloro-N-cyclohexylpropane-1-sulfonamide

3-chloro-N-cyclohexylpropane-1-sulfonamide (PubChem CID 43653931) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is 3-chloro-N-cyclohexylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclohexylpropane-1-sulfonamide
PubChem CID43653931
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC Name3-chloro-N-cyclohexylpropane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NC1CCCCC1
InChIInChI=1S/C9H18ClNO2S/c10-7-4-8-14(12,13)11-9-5-2-1-3-6-9/h9,11H,1-8H2
InChIKeyTUDRAGZGMYUDCJ-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 51.87
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

2-amino-N-cyclohexylethane-1-sulfonamide hydrochloride
CID 16188493
2-amino-N-cyclohexylethanesulfonamide
CID 3145398
1-Butanesulfonamide, N-cyclohexyl-
CID 47495
N-amyl-4-chlorobutanesulfonamide
CID 13468220
N-[(2R)-2-chlorohexyl]ethanesulfonamide
CID 134933923
N-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide
CID 134934526
N-(4-chlorocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058666
N-(2-chlorocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059733
2-amino-N-cyclohexylethanesulfonamide chloride
CID 53347795
N-cyclohexylethanesulfonamide
CID 5225345
N-cyclopropyl-6-chlorohexanesulfonamide
CID 11010063
N-cyclohexyl-isopropanesulfonamide
CID 13053802

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclohexylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-cyclohexylpropane-1-sulfonamide (CID 43653931) is 3-chloro-N-cyclohexylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-cyclohexylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-cyclohexylpropane-1-sulfonamide is O=S(=O)(CCCCl)NC1CCCCC1.
What is the InChIKey of 3-chloro-N-cyclohexylpropane-1-sulfonamide?
The InChIKey is TUDRAGZGMYUDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c10-7-4-8-14(12,13)11-9-5-2-1-3-6-9/h9,11H,1-8H2.
What are the key properties of 3-chloro-N-cyclohexylpropane-1-sulfonamide?
3-chloro-N-cyclohexylpropane-1-sulfonamide has a molecular weight of 239.77 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclohexylpropane-1-sulfonamide is sourced from PubChem (CID 43653931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).