N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide

C23H27FN4O3S — CID 55990379

IUPACN-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCc1cc(C)n(Cc2cccc(CNC(=O)c3cc(S(=O)(=O)NC(C)C)ccc3F)c2)n1
InChIInChI=1S/C23H27FN4O3S/c1-15(2)27-32(30,31)20-8-9-22(24)21(12-20)23(29)25-13-18-6-5-7-19(11-18)14-28-17(4)10-16(3)26-28/h5-12,15,27H,13-14H2,1-4H3,(H,25,29)
InChIKeyWHFKNWQHMDKFDH-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.30
Rot. Bonds8

About N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide

N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 55990379) has the molecular formula C23H27FN4O3S and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID55990379
Molecular FormulaC23H27FN4O3S
Molecular Weight458.56 g/mol
Exact Mass458.18
IUPAC NameN-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCc1cc(C)n(Cc2cccc(CNC(=O)c3cc(S(=O)(=O)NC(C)C)ccc3F)c2)n1
InChIInChI=1S/C23H27FN4O3S/c1-15(2)27-32(30,31)20-8-9-22(24)21(12-20)23(29)25-13-18-6-5-7-19(11-18)14-28-17(4)10-16(3)26-28/h5-12,15,27H,13-14H2,1-4H3,(H,25,29)
InChIKeyWHFKNWQHMDKFDH-UHFFFAOYSA-N
XLogP3.30
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide
CID 55768958
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-nitrobenzamide
CID 47059253
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)sulfonylbenzamide
CID 110166622
5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86891594
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide
CID 55940777
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 90259869
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide
CID 55853726
1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 86902338
2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 86935839
5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748210
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55854510
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide
CID 46978772

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide (CID 55990379) is N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide is Cc1cc(C)n(Cc2cccc(CNC(=O)c3cc(S(=O)(=O)NC(C)C)ccc3F)c2)n1.
What is the InChIKey of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is WHFKNWQHMDKFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3S/c1-15(2)27-32(30,31)20-8-9-22(24)21(12-20)23(29)25-13-18-6-5-7-19(11-18)14-28-17(4)10-16(3)26-28/h5-12,15,27H,13-14H2,1-4H3,(H,25,29).
What are the key properties of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 458.56 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55990379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).