N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide

C12H17FN2O2S — CID 115307970

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
SMILESCC(CN)(NS(=O)(=O)c1cccc(F)c1)C1CC1
InChIInChI=1S/C12H17FN2O2S/c1-12(8-14,9-5-6-9)15-18(16,17)11-4-2-3-10(13)7-11/h2-4,7,9,15H,5-6,8,14H2,1H3
InChIKeyGTWBVTWPTGCCMX-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.23
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide (PubChem CID 115307970) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
PubChem CID115307970
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
SMILESCC(CN)(NS(=O)(=O)c1cccc(F)c1)C1CC1
InChIInChI=1S/C12H17FN2O2S/c1-12(8-14,9-5-6-9)15-18(16,17)11-4-2-3-10(13)7-11/h2-4,7,9,15H,5-6,8,14H2,1H3
InChIKeyGTWBVTWPTGCCMX-UHFFFAOYSA-N
XLogP1.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide (CID 115307970) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide is CC(CN)(NS(=O)(=O)c1cccc(F)c1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide?
The InChIKey is GTWBVTWPTGCCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-12(8-14,9-5-6-9)15-18(16,17)11-4-2-3-10(13)7-11/h2-4,7,9,15H,5-6,8,14H2,1H3.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 115307970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).