N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide

C24H23N5O3S — CID 24823357

IUPACN-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide
SMILESCC(C)(NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)cc1)c1cn[nH]n1
InChIInChI=1S/C24H23N5O3S/c1-24(2,22-16-25-29-27-22)28-33(31,32)21-14-10-18(11-15-21)17-8-12-20(13-9-17)26-23(30)19-6-4-3-5-7-19/h3-16,28H,1-2H3,(H,26,30)(H,25,27,29)
InChIKeyDKKBWSAGLYBEBR-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.94
Rot. Bonds7

About N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide

N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide (PubChem CID 24823357) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide
PubChem CID24823357
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC NameN-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide
SMILESCC(C)(NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)cc1)c1cn[nH]n1
InChIInChI=1S/C24H23N5O3S/c1-24(2,22-16-25-29-27-22)28-33(31,32)21-14-10-18(11-15-21)17-8-12-20(13-9-17)26-23(30)19-6-4-3-5-7-19/h3-16,28H,1-2H3,(H,26,30)(H,25,27,29)
InChIKeyDKKBWSAGLYBEBR-UHFFFAOYSA-N
XLogP3.94
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(2-methylbut-3-yn-2-ylsulfamoyl)phenyl]phenyl]benzamide
CID 86645354
N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
4-methylsulfonyl-N-(4-phenylphenyl)benzamide
CID 7998967
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-phenylbenzamide
CID 3252740
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide
CID 17153285
N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide
CID 78969284
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide
CID 46385849
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide?
The IUPAC name of N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide (CID 24823357) is N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide?
The canonical SMILES for N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide is CC(C)(NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)cc1)c1cn[nH]n1.
What is the InChIKey of N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide?
The InChIKey is DKKBWSAGLYBEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-24(2,22-16-25-29-27-22)28-33(31,32)21-14-10-18(11-15-21)17-8-12-20(13-9-17)26-23(30)19-6-4-3-5-7-19/h3-16,28H,1-2H3,(H,26,30)(H,25,27,29).
What are the key properties of N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide?
N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide has a molecular weight of 461.55 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide is sourced from PubChem (CID 24823357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).