3-chloro-N,N-dicyclohexylpropane-1-sulfonamide

C15H28ClNO2S — CID 43653962

IUPAC3-chloro-N,N-dicyclohexylpropane-1-sulfonamide
SMILESO=S(=O)(CCCCl)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H28ClNO2S/c16-12-7-13-20(18,19)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h14-15H,1-13H2
InChIKeyIGZZYIXOFWCVAB-UHFFFAOYSA-N
MW321.91 g/mol
LogP3.91
Rot. Bonds6

About 3-chloro-N,N-dicyclohexylpropane-1-sulfonamide

3-chloro-N,N-dicyclohexylpropane-1-sulfonamide (PubChem CID 43653962) has the molecular formula C15H28ClNO2S and a molecular weight of 321.91 g/mol. Its IUPAC name is 3-chloro-N,N-dicyclohexylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N,N-dicyclohexylpropane-1-sulfonamide
PubChem CID43653962
Molecular FormulaC15H28ClNO2S
Molecular Weight321.91 g/mol
Exact Mass321.15
IUPAC Name3-chloro-N,N-dicyclohexylpropane-1-sulfonamide
SMILESO=S(=O)(CCCCl)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H28ClNO2S/c16-12-7-13-20(18,19)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h14-15H,1-13H2
InChIKeyIGZZYIXOFWCVAB-UHFFFAOYSA-N
XLogP3.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.91
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dicyclohexylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N,N-dicyclohexylpropane-1-sulfonamide (CID 43653962) is 3-chloro-N,N-dicyclohexylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N,N-dicyclohexylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N,N-dicyclohexylpropane-1-sulfonamide is O=S(=O)(CCCCl)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 3-chloro-N,N-dicyclohexylpropane-1-sulfonamide?
The InChIKey is IGZZYIXOFWCVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO2S/c16-12-7-13-20(18,19)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h14-15H,1-13H2.
What are the key properties of 3-chloro-N,N-dicyclohexylpropane-1-sulfonamide?
3-chloro-N,N-dicyclohexylpropane-1-sulfonamide has a molecular weight of 321.91 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dicyclohexylpropane-1-sulfonamide is sourced from PubChem (CID 43653962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).