N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide

C12H19FN2O2S — CID 60859587

IUPACN-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCCN)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2O2S/c1-10(2)18(16,17)15(9-3-8-14)12-6-4-11(13)5-7-12/h4-7,10H,3,8-9,14H2,1-2H3
InChIKeyIDMRBFWPZDFYMY-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.72
Rot. Bonds6

About N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide

N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide (PubChem CID 60859587) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide
PubChem CID60859587
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC NameN-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCCN)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2O2S/c1-10(2)18(16,17)15(9-3-8-14)12-6-4-11(13)5-7-12/h4-7,10H,3,8-9,14H2,1-2H3
InChIKeyIDMRBFWPZDFYMY-UHFFFAOYSA-N
XLogP1.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide (CID 60859587) is N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide is CC(C)S(=O)(=O)N(CCCN)c1ccc(F)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide?
The InChIKey is IDMRBFWPZDFYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-10(2)18(16,17)15(9-3-8-14)12-6-4-11(13)5-7-12/h4-7,10H,3,8-9,14H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide?
N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide has a molecular weight of 274.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide is sourced from PubChem (CID 60859587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).