N-cyclohexyl-3-fluoropropane-1-sulfonamide

C9H18FNO2S — CID 129397177

IUPACN-cyclohexyl-3-fluoropropane-1-sulfonamide
SMILESO=S(=O)(CCCF)NC1CCCCC1
InChIInChI=1S/C9H18FNO2S/c10-7-4-8-14(12,13)11-9-5-2-1-3-6-9/h9,11H,1-8H2
InChIKeyOCPABACIBUKQQW-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.60
Rot. Bonds5

About N-cyclohexyl-3-fluoropropane-1-sulfonamide

N-cyclohexyl-3-fluoropropane-1-sulfonamide (PubChem CID 129397177) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is N-cyclohexyl-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-fluoropropane-1-sulfonamide
PubChem CID129397177
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC NameN-cyclohexyl-3-fluoropropane-1-sulfonamide
SMILESO=S(=O)(CCCF)NC1CCCCC1
InChIInChI=1S/C9H18FNO2S/c10-7-4-8-14(12,13)11-9-5-2-1-3-6-9/h9,11H,1-8H2
InChIKeyOCPABACIBUKQQW-UHFFFAOYSA-N
XLogP1.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-cyclohexyl-3-fluoropropane-1-sulfonamide (CID 129397177) is N-cyclohexyl-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-3-fluoropropane-1-sulfonamide is O=S(=O)(CCCF)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-fluoropropane-1-sulfonamide?
The InChIKey is OCPABACIBUKQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2S/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 N-cyclohexyl-3-fluoropropane-1-sulfonamide?
N-cyclohexyl-3-fluoropropane-1-sulfonamide has a molecular weight of 223.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 129397177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).