3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide

C25H22N4O3S — CID 39694623

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C25H22N4O3S/c30-25(27-22-9-3-6-19(16-22)18-28-14-5-13-26-28)21-8-4-10-23(17-21)33(31,32)29-15-12-20-7-1-2-11-24(20)29/h1-11,13-14,16-17H,12,15,18H2,(H,27,30)
InChIKeyPFAJKXZIABUTSC-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.94
Rot. Bonds6

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 39694623) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID39694623
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C25H22N4O3S/c30-25(27-22-9-3-6-19(16-22)18-28-14-5-13-26-28)21-8-4-10-23(17-21)33(31,32)29-15-12-20-7-1-2-11-24(20)29/h1-11,13-14,16-17H,12,15,18H2,(H,27,30)
InChIKeyPFAJKXZIABUTSC-UHFFFAOYSA-N
XLogP3.94
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(indolin-1-ylsulfonyl)-N-(pyridin-4-yl)benzamide
CID 24980452
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
4-[[[3-(1-methylpyrazol-3-yl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70654733
N'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide
CID 135298591
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16322478
1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide
CID 118725463

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 39694623) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide is O=C(Nc1cccc(Cn2cccn2)c1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is PFAJKXZIABUTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c30-25(27-22-9-3-6-19(16-22)18-28-14-5-13-26-28)21-8-4-10-23(17-21)33(31,32)29-15-12-20-7-1-2-11-24(20)29/h1-11,13-14,16-17H,12,15,18H2,(H,27,30).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 458.54 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 39694623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).