N-butyl-3-fluoro-N-propylpropane-1-sulfonamide

C10H22FNO2S — CID 89281472

IUPACN-butyl-3-fluoro-N-propylpropane-1-sulfonamide
SMILESCCCCN(CCC)S(=O)(=O)CCCF
InChIInChI=1S/C10H22FNO2S/c1-3-5-9-12(8-4-2)15(13,14)10-6-7-11/h3-10H2,1-2H3
InChIKeyCRLLOKSNFYNCSQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.19
Rot. Bonds9

About N-butyl-3-fluoro-N-propylpropane-1-sulfonamide

N-butyl-3-fluoro-N-propylpropane-1-sulfonamide (PubChem CID 89281472) has the molecular formula C10H22FNO2S and a molecular weight of 239.36 g/mol. Its IUPAC name is N-butyl-3-fluoro-N-propylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-3-fluoro-N-propylpropane-1-sulfonamide
PubChem CID89281472
Molecular FormulaC10H22FNO2S
Molecular Weight239.36 g/mol
Exact Mass239.14
IUPAC NameN-butyl-3-fluoro-N-propylpropane-1-sulfonamide
SMILESCCCCN(CCC)S(=O)(=O)CCCF
InChIInChI=1S/C10H22FNO2S/c1-3-5-9-12(8-4-2)15(13,14)10-6-7-11/h3-10H2,1-2H3
InChIKeyCRLLOKSNFYNCSQ-UHFFFAOYSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-fluoro-N-propylpropane-1-sulfonamide?
The IUPAC name of N-butyl-3-fluoro-N-propylpropane-1-sulfonamide (CID 89281472) is N-butyl-3-fluoro-N-propylpropane-1-sulfonamide.
What is the SMILES notation for N-butyl-3-fluoro-N-propylpropane-1-sulfonamide?
The canonical SMILES for N-butyl-3-fluoro-N-propylpropane-1-sulfonamide is CCCCN(CCC)S(=O)(=O)CCCF.
What is the InChIKey of N-butyl-3-fluoro-N-propylpropane-1-sulfonamide?
The InChIKey is CRLLOKSNFYNCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO2S/c1-3-5-9-12(8-4-2)15(13,14)10-6-7-11/h3-10H2,1-2H3.
What are the key properties of N-butyl-3-fluoro-N-propylpropane-1-sulfonamide?
N-butyl-3-fluoro-N-propylpropane-1-sulfonamide has a molecular weight of 239.36 g/mol, XLogP of 2.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-fluoro-N-propylpropane-1-sulfonamide is sourced from PubChem (CID 89281472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).