3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide

C26H23FN4O3S — CID 112805723

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C26H23FN4O3S/c1-18-16-25(31(29-18)22-13-11-21(27)12-14-22)28-26(32)20-7-4-9-23(17-20)35(33,34)30-15-5-8-19-6-2-3-10-24(19)30/h2-4,6-7,9-14,16-17H,5,8,15H2,1H3,(H,28,32)
InChIKeyYNNGOGACIYBAHF-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.71
Rot. Bonds5

About 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide (PubChem CID 112805723) has the molecular formula C26H23FN4O3S and a molecular weight of 490.56 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
PubChem CID112805723
Molecular FormulaC26H23FN4O3S
Molecular Weight490.56 g/mol
Exact Mass490.15
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C26H23FN4O3S/c1-18-16-25(31(29-18)22-13-11-21(27)12-14-22)28-26(32)20-7-4-9-23(17-20)35(33,34)30-15-5-8-19-6-2-3-10-24(19)30/h2-4,6-7,9-14,16-17H,5,8,15H2,1H3,(H,28,32)
InChIKeyYNNGOGACIYBAHF-UHFFFAOYSA-N
XLogP4.71
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 112805705
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112805830
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 24980754
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide
CID 25102342
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 112805726
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 55614093
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 66762821
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide
CID 86961299
3-(azepan-1-ylsulfonyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 55507070
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 48731232
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide
CID 47027818
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-pyrrol-1-ylbenzamide
CID 112805877

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide (CID 112805723) is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide?
The InChIKey is YNNGOGACIYBAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3S/c1-18-16-25(31(29-18)22-13-11-21(27)12-14-22)28-26(32)20-7-4-9-23(17-20)35(33,34)30-15-5-8-19-6-2-3-10-24(19)30/h2-4,6-7,9-14,16-17H,5,8,15H2,1H3,(H,28,32).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide?
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide has a molecular weight of 490.56 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 112805723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).