N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]pyridine-3-sulfonamide

C14H12FN3O2S — CID 60815124

IUPACN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]pyridine-3-sulfonamide
SMILESNCC#Cc1cc(F)ccc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C14H12FN3O2S/c15-12-5-6-14(11(9-12)3-1-7-16)18-21(19,20)13-4-2-8-17-10-13/h2,4-6,8-10,18H,7,16H2
InChIKeyOVMHIYGEXLNRQK-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.33
Rot. Bonds3

About N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]pyridine-3-sulfonamide

N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]pyridine-3-sulfonamide (PubChem CID 60815124) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]pyridine-3-sulfonamide
PubChem CID60815124
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC NameN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]pyridine-3-sulfonamide
SMILESNCC#Cc1cc(F)ccc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C14H12FN3O2S/c15-12-5-6-14(11(9-12)3-1-7-16)18-21(19,20)13-4-2-8-17-10-13/h2,4-6,8-10,18H,7,16H2
InChIKeyOVMHIYGEXLNRQK-UHFFFAOYSA-N
XLogP1.33
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]pyridine-3-sulfonamide (CID 60815124) is N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]pyridine-3-sulfonamide is NCC#Cc1cc(F)ccc1NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]pyridine-3-sulfonamide?
The InChIKey is OVMHIYGEXLNRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c15-12-5-6-14(11(9-12)3-1-7-16)18-21(19,20)13-4-2-8-17-10-13/h2,4-6,8-10,18H,7,16H2.
What are the key properties of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]pyridine-3-sulfonamide?
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]pyridine-3-sulfonamide has a molecular weight of 305.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 60815124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).