N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide

C18H16FN3O3S — CID 47027818

IUPACN-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2cccc(S(C)(=O)=O)c2)n(-c2ccccc2F)n1
InChIInChI=1S/C18H16FN3O3S/c1-12-10-17(22(21-12)16-9-4-3-8-15(16)19)20-18(23)13-6-5-7-14(11-13)26(2,24)25/h3-11H,1-2H3,(H,20,23)
InChIKeyJDCUVYSPJZCCGX-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.98
Rot. Bonds4

About N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide

N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide (PubChem CID 47027818) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide
PubChem CID47027818
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2cccc(S(C)(=O)=O)c2)n(-c2ccccc2F)n1
InChIInChI=1S/C18H16FN3O3S/c1-12-10-17(22(21-12)16-9-4-3-8-15(16)19)20-18(23)13-6-5-7-14(11-13)26(2,24)25/h3-11H,1-2H3,(H,20,23)
InChIKeyJDCUVYSPJZCCGX-UHFFFAOYSA-N
XLogP2.98
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide
CID 99453843
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide
CID 47027812
methyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate
CID 75477756
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112805723
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 112805726
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 112805705
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide
CID 2330110
3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide
CID 55480080
3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 37044059
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide
CID 55480738
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 43073973
3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55502941

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide (CID 47027818) is N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide is Cc1cc(NC(=O)c2cccc(S(C)(=O)=O)c2)n(-c2ccccc2F)n1.
What is the InChIKey of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide?
The InChIKey is JDCUVYSPJZCCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-12-10-17(22(21-12)16-9-4-3-8-15(16)19)20-18(23)13-6-5-7-14(11-13)26(2,24)25/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide?
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide has a molecular weight of 373.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 47027818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).