N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C23H25FN4O3S — CID 112805830

IUPACN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H25FN4O3S/c1-16-14-22(28(26-16)20-11-9-19(24)10-12-20)25-23(29)18-7-5-8-21(15-18)32(30,31)27-13-4-3-6-17(27)2/h5,7-12,14-15,17H,3-4,6,13H2,1-2H3,(H,25,29)
InChIKeyLFHNYNCDWXIUBO-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.14
Rot. Bonds5

About N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 112805830) has the molecular formula C23H25FN4O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID112805830
Molecular FormulaC23H25FN4O3S
Molecular Weight456.54 g/mol
Exact Mass456.16
IUPAC NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H25FN4O3S/c1-16-14-22(28(26-16)20-11-9-19(24)10-12-20)25-23(29)18-7-5-8-21(15-18)32(30,31)27-13-4-3-6-17(27)2/h5,7-12,14-15,17H,3-4,6,13H2,1-2H3,(H,25,29)
InChIKeyLFHNYNCDWXIUBO-UHFFFAOYSA-N
XLogP4.14
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.14
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
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112805723
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 16575285
3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085937
N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55979789
3-(azepan-1-ylsulfonyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 55507070
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119516218
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55480396
N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9411283
3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556170
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 134024993

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 112805830) is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is LFHNYNCDWXIUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c1-16-14-22(28(26-16)20-11-9-19(24)10-12-20)25-23(29)18-7-5-8-21(15-18)32(30,31)27-13-4-3-6-17(27)2/h5,7-12,14-15,17H,3-4,6,13H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 456.54 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 112805830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).