N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propane-1-sulfonamide

C14H20FNO3S — CID 75399763

IUPACN-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC(O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H20FNO3S/c1-2-9-20(18,19)16(13-7-8-13)10-14(17)11-3-5-12(15)6-4-11/h3-6,13-14,17H,2,7-10H2,1H3
InChIKeyQUGIJPTXKKBHFF-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.06
Rot. Bonds7

About N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propane-1-sulfonamide

N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propane-1-sulfonamide (PubChem CID 75399763) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propane-1-sulfonamide
PubChem CID75399763
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC NameN-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC(O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H20FNO3S/c1-2-9-20(18,19)16(13-7-8-13)10-14(17)11-3-5-12(15)6-4-11/h3-6,13-14,17H,2,7-10H2,1H3
InChIKeyQUGIJPTXKKBHFF-UHFFFAOYSA-N
XLogP2.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propane-1-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propane-1-sulfonamide (CID 75399763) is N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propane-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propane-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propane-1-sulfonamide is CCCS(=O)(=O)N(CC(O)c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propane-1-sulfonamide?
The InChIKey is QUGIJPTXKKBHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-2-9-20(18,19)16(13-7-8-13)10-14(17)11-3-5-12(15)6-4-11/h3-6,13-14,17H,2,7-10H2,1H3.
What are the key properties of N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propane-1-sulfonamide?
N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propane-1-sulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propane-1-sulfonamide is sourced from PubChem (CID 75399763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).