N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide

C24H22N4O3S — CID 42116246

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C24H22N4O3S/c1-32(30,31)27-21-14-12-19(13-15-21)24(29)25-16-20-17-28(22-10-6-3-7-11-22)26-23(20)18-8-4-2-5-9-18/h2-15,17,27H,16H2,1H3,(H,25,29)
InChIKeyWJNRJMBQPALURQ-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.84
Rot. Bonds7

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide (PubChem CID 42116246) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide
PubChem CID42116246
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C24H22N4O3S/c1-32(30,31)27-21-14-12-19(13-15-21)24(29)25-16-20-17-28(22-10-6-3-7-11-22)26-23(20)18-8-4-2-5-9-18/h2-15,17,27H,16H2,1H3,(H,25,29)
InChIKeyWJNRJMBQPALURQ-UHFFFAOYSA-N
XLogP3.84
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 19281007
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide
CID 24610626
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide
CID 24548704
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 19262748
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 46511717
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279614
3-(1,3-dioxoisoindol-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19288807
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479833
(1,3-diphenylpyrazol-4-yl)methyl 2-(methanesulfonamido)benzoate
CID 27270686
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 24548793
4-(2-methylsulfanylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]benzamide
CID 60604611

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide (CID 42116246) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide?
The InChIKey is WJNRJMBQPALURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-32(30,31)27-21-14-12-19(13-15-21)24(29)25-16-20-17-28(22-10-6-3-7-11-22)26-23(20)18-8-4-2-5-9-18/h2-15,17,27H,16H2,1H3,(H,25,29).
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide has a molecular weight of 446.53 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 42116246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).