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

C12H11FN4O2S — CID 60917439

IUPACN-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1H-pyrazole-4-sulfonamide
SMILESNCC#Cc1ccc(NS(=O)(=O)c2cn[nH]c2)c(F)c1
InChIInChI=1S/C12H11FN4O2S/c13-11-6-9(2-1-5-14)3-4-12(11)17-20(18,19)10-7-15-16-8-10/h3-4,6-8,17H,5,14H2,(H,15,16)
InChIKeyVUTBDPHVMFMKJF-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.66
Rot. Bonds3

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

N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 60917439) has the molecular formula C12H11FN4O2S and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1H-pyrazole-4-sulfonamide
PubChem CID60917439
Molecular FormulaC12H11FN4O2S
Molecular Weight294.31 g/mol
Exact Mass294.06
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1H-pyrazole-4-sulfonamide
SMILESNCC#Cc1ccc(NS(=O)(=O)c2cn[nH]c2)c(F)c1
InChIInChI=1S/C12H11FN4O2S/c13-11-6-9(2-1-5-14)3-4-12(11)17-20(18,19)10-7-15-16-8-10/h3-4,6-8,17H,5,14H2,(H,15,16)
InChIKeyVUTBDPHVMFMKJF-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-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 62913782
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415554
4-(3-aminoprop-1-ynyl)-1-(dimethylsulfamoylamino)-2-fluorobenzene
CID 60813948
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(propan-2-ylsulfamoyl)aniline
CID 114812059
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 81280632
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]benzenesulfonamide
CID 60813246
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54937492
[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea
CID 60814279
N-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 47267509
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54929740
N-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60916235

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1H-pyrazole-4-sulfonamide (CID 60917439) is N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1H-pyrazole-4-sulfonamide is NCC#Cc1ccc(NS(=O)(=O)c2cn[nH]c2)c(F)c1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is VUTBDPHVMFMKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2S/c13-11-6-9(2-1-5-14)3-4-12(11)17-20(18,19)10-7-15-16-8-10/h3-4,6-8,17H,5,14H2,(H,15,16).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1H-pyrazole-4-sulfonamide?
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1H-pyrazole-4-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-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60917439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).