2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

C14H12FN3O2S — CID 65481870

IUPAC2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESNCC#Cc1ccccc1S(=O)(=O)Nc1ccc(F)cn1
InChIInChI=1S/C14H12FN3O2S/c15-12-7-8-14(17-10-12)18-21(19,20)13-6-2-1-4-11(13)5-3-9-16/h1-2,4,6-8,10H,9,16H2,(H,17,18)
InChIKeyPPVBPQPPQDNWNX-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.33
Rot. Bonds3

About 2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 65481870) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID65481870
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC Name2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESNCC#Cc1ccccc1S(=O)(=O)Nc1ccc(F)cn1
InChIInChI=1S/C14H12FN3O2S/c15-12-7-8-14(17-10-12)18-21(19,20)13-6-2-1-4-11(13)5-3-9-16/h1-2,4,6-8,10H,9,16H2,(H,17,18)
InChIKeyPPVBPQPPQDNWNX-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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Related Compounds

2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide
CID 60845512
1-[2-(3-aminoprop-1-ynyl)phenyl]-3-ethyl-6-fluoro-N-(5-fluoro-2-pyridinyl)indazole-5-sulfonamide
CID 90110430
2-(3-aminoprop-1-ynyl)-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60845361
2-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 63564336
N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60823376
2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzenesulfonamide
CID 60824893
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480491
5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65481643
N-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 65480888
2-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64525744
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480690
5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)thiophene-3-carboxamide
CID 79684369

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (CID 65481870) is 2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is NCC#Cc1ccccc1S(=O)(=O)Nc1ccc(F)cn1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is PPVBPQPPQDNWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c15-12-7-8-14(17-10-12)18-21(19,20)13-6-2-1-4-11(13)5-3-9-16/h1-2,4,6-8,10H,9,16H2,(H,17,18).
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide 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 2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 65481870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).