N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1H-pyrazole-5-sulfonamide

C12H11FN4O2S — CID 102693792

IUPACN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1H-pyrazole-5-sulfonamide
SMILESNCC#Cc1cc(F)ccc1NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C12H11FN4O2S/c13-10-3-4-11(9(8-10)2-1-6-14)17-20(18,19)12-5-7-15-16-12/h3-5,7-8,17H,6,14H2,(H,15,16)
InChIKeyYXWXRFAQAOLNQC-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.66
Rot. Bonds3

About N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1H-pyrazole-5-sulfonamide

N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102693792) has the molecular formula C12H11FN4O2S and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1H-pyrazole-5-sulfonamide
PubChem CID102693792
Molecular FormulaC12H11FN4O2S
Molecular Weight294.31 g/mol
Exact Mass294.06
IUPAC NameN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1H-pyrazole-5-sulfonamide
SMILESNCC#Cc1cc(F)ccc1NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C12H11FN4O2S/c13-10-3-4-11(9(8-10)2-1-6-14)17-20(18,19)12-5-7-15-16-12/h3-5,7-8,17H,6,14H2,(H,15,16)
InChIKeyYXWXRFAQAOLNQC-UHFFFAOYSA-N
XLogP0.66
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]pyridine-3-sulfonamide
CID 60815124
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide
CID 102693806
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1-methylpyrazole-4-sulfonamide
CID 62063018
N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102692960
N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide
CID 102693801
2-(3-aminoprop-1-ynyl)-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60845361
N-(3,5-difluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691589
N-(2-fluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691575
N-(2-fluoro-5-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide
CID 102693891
N-(3-fluoro-4-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 107595249
methyl N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]carbamate
CID 60814781
2-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylamino]acetamide
CID 60843766

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1H-pyrazole-5-sulfonamide (CID 102693792) is N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1H-pyrazole-5-sulfonamide is NCC#Cc1cc(F)ccc1NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is YXWXRFAQAOLNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2S/c13-10-3-4-11(9(8-10)2-1-6-14)17-20(18,19)12-5-7-15-16-12/h3-5,7-8,17H,6,14H2,(H,15,16).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1H-pyrazole-5-sulfonamide?
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 294.31 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 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]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).