5-[benzyl-(1-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide

C21H23FN4O3S — CID 46182413

IUPAC5-[benzyl-(1-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccn(C)n2)ccc1F
InChIInChI=1S/C21H23FN4O3S/c1-15(2)23-21(27)18-13-17(9-10-19(18)22)26(14-16-7-5-4-6-8-16)30(28,29)20-11-12-25(3)24-20/h4-13,15H,14H2,1-3H3,(H,23,27)
InChIKeyCCBRPGGALZTKRF-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.09
Rot. Bonds7

About 5-[benzyl-(1-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide

5-[benzyl-(1-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide (PubChem CID 46182413) has the molecular formula C21H23FN4O3S and a molecular weight of 430.51 g/mol. Its IUPAC name is 5-[benzyl-(1-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-[benzyl-(1-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
PubChem CID46182413
Molecular FormulaC21H23FN4O3S
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC Name5-[benzyl-(1-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccn(C)n2)ccc1F
InChIInChI=1S/C21H23FN4O3S/c1-15(2)23-21(27)18-13-17(9-10-19(18)22)26(14-16-7-5-4-6-8-16)30(28,29)20-11-12-25(3)24-20/h4-13,15H,14H2,1-3H3,(H,23,27)
InChIKeyCCBRPGGALZTKRF-UHFFFAOYSA-N
XLogP3.09
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide
CID 135298636
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2812918
N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 44469942
1-(4-fluorophenyl)-N-[[4-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 44470083
1-(4-Fluoro-phenyl)-1H-indazole-4-carboxylic acid 4-methylsulfamoyl-benzylamide
CID 58138789
1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138841
N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138852
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138880
1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138893
N'-(benzenesulfonyl)-2-fluoro-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 124132137
N'-(2-fluorophenyl)sulfonyl-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298536

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl-(1-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of 5-[benzyl-(1-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide (CID 46182413) is 5-[benzyl-(1-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-[benzyl-(1-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for 5-[benzyl-(1-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccn(C)n2)ccc1F.
What is the InChIKey of 5-[benzyl-(1-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
The InChIKey is CCBRPGGALZTKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3S/c1-15(2)23-21(27)18-13-17(9-10-19(18)22)26(14-16-7-5-4-6-8-16)30(28,29)20-11-12-25(3)24-20/h4-13,15H,14H2,1-3H3,(H,23,27).
What are the key properties of 5-[benzyl-(1-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
5-[benzyl-(1-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide has a molecular weight of 430.51 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl-(1-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 46182413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).