1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide

C14H17FN4O2S — CID 119978930

IUPAC1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C14H17FN4O2S/c1-18(11-6-7-16-8-11)22(20,21)12-9-17-19(10-12)14-5-3-2-4-13(14)15/h2-5,9-11,16H,6-8H2,1H3
InChIKeyYTUQZDAVCXTXQW-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.99
Rot. Bonds4

About 1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide

1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide (PubChem CID 119978930) has the molecular formula C14H17FN4O2S and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide
PubChem CID119978930
Molecular FormulaC14H17FN4O2S
Molecular Weight324.38 g/mol
Exact Mass324.11
IUPAC Name1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C14H17FN4O2S/c1-18(11-6-7-16-8-11)22(20,21)12-9-17-19(10-12)14-5-3-2-4-13(14)15/h2-5,9-11,16H,6-8H2,1H3
InChIKeyYTUQZDAVCXTXQW-UHFFFAOYSA-N
XLogP0.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride
CID 119979118
N-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 120709860
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
N-methyl-N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 63297947
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide
CID 119994189
1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride
CID 120586182
1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide
CID 119974341
N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 44592154
3-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 119989448
N-methyl-1-(2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 125134432
N-methyl-1-(2-methylphenyl)-N-[(3R)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 125134433

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide (CID 119978930) is 1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide is CN(C1CCNC1)S(=O)(=O)c1cnn(-c2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide?
The InChIKey is YTUQZDAVCXTXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2S/c1-18(11-6-7-16-8-11)22(20,21)12-9-17-19(10-12)14-5-3-2-4-13(14)15/h2-5,9-11,16H,6-8H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide?
1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide has a molecular weight of 324.38 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 119978930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).