N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide

C26H25FN4O3S — CID 60542557

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C26H25FN4O3S/c1-3-28-35(33,34)22-14-15-24(27)23(16-22)26(32)30(2)17-20-18-31(21-12-8-5-9-13-21)29-25(20)19-10-6-4-7-11-19/h4-16,18,28H,3,17H2,1-2H3
InChIKeyIQYWAAHFKCSTDC-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.25
Rot. Bonds8

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide (PubChem CID 60542557) has the molecular formula C26H25FN4O3S and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide
PubChem CID60542557
Molecular FormulaC26H25FN4O3S
Molecular Weight492.58 g/mol
Exact Mass492.16
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C26H25FN4O3S/c1-3-28-35(33,34)22-14-15-24(27)23(16-22)26(32)30(2)17-20-18-31(21-12-8-5-9-13-21)29-25(20)19-10-6-4-7-11-19/h4-16,18,28H,3,17H2,1-2H3
InChIKeyIQYWAAHFKCSTDC-UHFFFAOYSA-N
XLogP4.25
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide
CID 24548796
5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 31138800
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-methylbenzamide
CID 18209870
5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55813430
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 31333953
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 19577912
methyl 5-[(1,3-diphenylpyrazol-4-yl)methyl-methylcarbamoyl]thiophene-2-carboxylate
CID 35187589
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 55913537
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-methoxyethoxy)-N-methylbenzamide
CID 55996599
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,3-dimethylbenzamide
CID 18205415
N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22203873

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide (CID 60542557) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide is CCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide?
The InChIKey is IQYWAAHFKCSTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3S/c1-3-28-35(33,34)22-14-15-24(27)23(16-22)26(32)30(2)17-20-18-31(21-12-8-5-9-13-21)29-25(20)19-10-6-4-7-11-19/h4-16,18,28H,3,17H2,1-2H3.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide has a molecular weight of 492.58 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 60542557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).