N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide

C13H15FN4O2S — CID 60933682

IUPACN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCC2)c(F)c1)c1cn[nH]c1
InChIInChI=1S/C13H15FN4O2S/c14-12-7-10(3-4-13(12)18-5-1-2-6-18)17-21(19,20)11-8-15-16-9-11/h3-4,7-9,17H,1-2,5-6H2,(H,15,16)
InChIKeyDAHYCFRSDPDFRR-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.95
Rot. Bonds4

About N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide

N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60933682) has the molecular formula C13H15FN4O2S and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID60933682
Molecular FormulaC13H15FN4O2S
Molecular Weight310.35 g/mol
Exact Mass310.09
IUPAC NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCC2)c(F)c1)c1cn[nH]c1
InChIInChI=1S/C13H15FN4O2S/c14-12-7-10(3-4-13(12)18-5-1-2-6-18)17-21(19,20)11-8-15-16-9-11/h3-4,7-9,17H,1-2,5-6H2,(H,15,16)
InChIKeyDAHYCFRSDPDFRR-UHFFFAOYSA-N
XLogP1.95
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
CID 103847505
N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 115663189
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61274374
3-[2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)phenyl]prop-2-enoic acid
CID 77069486
methyl 2-bromo-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)sulfamoyl]benzoate
CID 55920968
N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide
CID 82861812
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 60912388
N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267601
N-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide
CID 61275750
N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 63998008
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide
CID 64992307

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide (CID 60933682) is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1ccc(N2CCCC2)c(F)c1)c1cn[nH]c1.
What is the InChIKey of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is DAHYCFRSDPDFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S/c14-12-7-10(3-4-13(12)18-5-1-2-6-18)17-21(19,20)11-8-15-16-9-11/h3-4,7-9,17H,1-2,5-6H2,(H,15,16).
What are the key properties of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide?
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60933682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).