3-[(3,5-difluorophenyl)methylamino]propane-1-sulfonamide

C10H14F2N2O2S — CID 106528429

IUPAC3-[(3,5-difluorophenyl)methylamino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNCc1cc(F)cc(F)c1
InChIInChI=1S/C10H14F2N2O2S/c11-9-4-8(5-10(12)6-9)7-14-2-1-3-17(13,15)16/h4-6,14H,1-3,7H2,(H2,13,15,16)
InChIKeyWKUFRLAHSJRYJB-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.73
Rot. Bonds6

About 3-[(3,5-difluorophenyl)methylamino]propane-1-sulfonamide

3-[(3,5-difluorophenyl)methylamino]propane-1-sulfonamide (PubChem CID 106528429) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-[(3,5-difluorophenyl)methylamino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(3,5-difluorophenyl)methylamino]propane-1-sulfonamide
PubChem CID106528429
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Name3-[(3,5-difluorophenyl)methylamino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNCc1cc(F)cc(F)c1
InChIInChI=1S/C10H14F2N2O2S/c11-9-4-8(5-10(12)6-9)7-14-2-1-3-17(13,15)16/h4-6,14H,1-3,7H2,(H2,13,15,16)
InChIKeyWKUFRLAHSJRYJB-UHFFFAOYSA-N
XLogP0.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorophenyl)methylamino]propane-1-sulfonamide?
The IUPAC name of 3-[(3,5-difluorophenyl)methylamino]propane-1-sulfonamide (CID 106528429) is 3-[(3,5-difluorophenyl)methylamino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(3,5-difluorophenyl)methylamino]propane-1-sulfonamide?
The canonical SMILES for 3-[(3,5-difluorophenyl)methylamino]propane-1-sulfonamide is NS(=O)(=O)CCCNCc1cc(F)cc(F)c1.
What is the InChIKey of 3-[(3,5-difluorophenyl)methylamino]propane-1-sulfonamide?
The InChIKey is WKUFRLAHSJRYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c11-9-4-8(5-10(12)6-9)7-14-2-1-3-17(13,15)16/h4-6,14H,1-3,7H2,(H2,13,15,16).
What are the key properties of 3-[(3,5-difluorophenyl)methylamino]propane-1-sulfonamide?
3-[(3,5-difluorophenyl)methylamino]propane-1-sulfonamide has a molecular weight of 264.30 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorophenyl)methylamino]propane-1-sulfonamide is sourced from PubChem (CID 106528429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).