1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide

C14H17FN4O2S — CID 119974341

IUPAC1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCCN1)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C14H17FN4O2S/c15-13-5-1-2-6-14(13)19-10-12(9-17-19)22(20,21)18-8-11-4-3-7-16-11/h1-2,5-6,9-11,16,18H,3-4,7-8H2
InChIKeyREDOEDSUGVZVPV-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.04
Rot. Bonds5

About 1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide

1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 119974341) has the molecular formula C14H17FN4O2S and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID119974341
Molecular FormulaC14H17FN4O2S
Molecular Weight324.38 g/mol
Exact Mass324.11
IUPAC Name1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCCN1)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C14H17FN4O2S/c15-13-5-1-2-6-14(13)19-10-12(9-17-19)22(20,21)18-8-11-4-3-7-16-11/h1-2,5-6,9-11,16,18H,3-4,7-8H2
InChIKeyREDOEDSUGVZVPV-UHFFFAOYSA-N
XLogP1.04
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 115054112
1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide
CID 120709011
1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride
CID 120586182
N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide
CID 119983754
1-(2-fluorophenyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 167978297
N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide;hydrochloride
CID 119983753
2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974119
3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974220
3-fluoro-N-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120708923
1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide
CID 114794170
1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide
CID 119978930
1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide
CID 119034125

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide (CID 119974341) is 1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide is O=S(=O)(NCC1CCCN1)c1cnn(-c2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is REDOEDSUGVZVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2S/c15-13-5-1-2-6-14(13)19-10-12(9-17-19)22(20,21)18-8-11-4-3-7-16-11/h1-2,5-6,9-11,16,18H,3-4,7-8H2.
What are the key properties of 1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide?
1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 324.38 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 119974341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).