N-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide

C15H16FN3O3S — CID 138032424

IUPACN-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide
SMILESCc1c(S(=O)(=O)NC(=O)C2CCc3cc(F)ccc32)cnn1C
InChIInChI=1S/C15H16FN3O3S/c1-9-14(8-17-19(9)2)23(21,22)18-15(20)13-5-3-10-7-11(16)4-6-12(10)13/h4,6-8,13H,3,5H2,1-2H3,(H,18,20)
InChIKeyIHFMBKRXFKFWNF-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.40
Rot. Bonds3

About N-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide

N-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 138032424) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID138032424
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide
SMILESCc1c(S(=O)(=O)NC(=O)C2CCc3cc(F)ccc32)cnn1C
InChIInChI=1S/C15H16FN3O3S/c1-9-14(8-17-19(9)2)23(21,22)18-15(20)13-5-3-10-7-11(16)4-6-12(10)13/h4,6-8,13H,3,5H2,1-2H3,(H,18,20)
InChIKeyIHFMBKRXFKFWNF-UHFFFAOYSA-N
XLogP1.40
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US11530200, Example 24
CID 156064844
3-(3-fluorophenyl)-2-methyl-N-(1-methylpyrazol-4-yl)sulfonylpropanamide
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(3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide
CID 95977686
(1R)-N-(1,5-dimethylpyrazol-4-yl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide
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(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-N-(2-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazole-5-carboxamide
CID 44205932
(4R,5R)-1-(4-fluorophenyl)-4-methyl-N-(2-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
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2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-(4-pyrazol-1-ylphenyl)sulfonylacetamide
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2-[3-fluoro-2,6-di(propan-2-yl)phenyl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide
CID 132048814
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide
CID 132048835
N-[3-fluoro-4-(1-methylpyrazol-3-yl)phenyl]sulfonylpropanamide
CID 142775071
N-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfonylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide (CID 138032424) is N-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide is Cc1c(S(=O)(=O)NC(=O)C2CCc3cc(F)ccc32)cnn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is IHFMBKRXFKFWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-9-14(8-17-19(9)2)23(21,22)18-15(20)13-5-3-10-7-11(16)4-6-12(10)13/h4,6-8,13H,3,5H2,1-2H3,(H,18,20).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide?
N-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 138032424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).