4-(phenylsulfamoyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide

C24H22N6O4S — CID 55621765

IUPAC4-(phenylsulfamoyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
SMILESCC(C(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1)n1cncn1
InChIInChI=1S/C24H22N6O4S/c1-17(30-16-25-15-26-30)23(31)27-19-9-11-20(12-10-19)28-24(32)18-7-13-22(14-8-18)35(33,34)29-21-5-3-2-4-6-21/h2-17,29H,1H3,(H,27,31)(H,28,32)
InChIKeyOUWUXRSZLHZDKT-UHFFFAOYSA-N
MW490.55 g/mol
LogP3.53
Rot. Bonds8

About 4-(phenylsulfamoyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide

4-(phenylsulfamoyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide (PubChem CID 55621765) has the molecular formula C24H22N6O4S and a molecular weight of 490.55 g/mol. Its IUPAC name is 4-(phenylsulfamoyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-(phenylsulfamoyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
PubChem CID55621765
Molecular FormulaC24H22N6O4S
Molecular Weight490.55 g/mol
Exact Mass490.14
IUPAC Name4-(phenylsulfamoyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
SMILESCC(C(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1)n1cncn1
InChIInChI=1S/C24H22N6O4S/c1-17(30-16-25-15-26-30)23(31)27-19-9-11-20(12-10-19)28-24(32)18-7-13-22(14-8-18)35(33,34)29-21-5-3-2-4-6-21/h2-17,29H,1H3,(H,27,31)(H,28,32)
InChIKeyOUWUXRSZLHZDKT-UHFFFAOYSA-N
XLogP3.53
TPSA135.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 43064718
(2R)-N-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 31912423
2,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]quinoxaline-6-carboxamide
CID 55652859
5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 43064394
N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide
CID 27229305
4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138
3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46431579
2-methyl-5-piperidin-1-ylsulfonyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 43064691
N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729037
1-benzyl-2,5-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrole-3-carboxamide
CID 55679814
2-(difluoromethoxy)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 43064673
(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 32592112

Frequently Asked Questions

What is the IUPAC name of 4-(phenylsulfamoyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
The IUPAC name of 4-(phenylsulfamoyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide (CID 55621765) is 4-(phenylsulfamoyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide.
What is the SMILES notation for 4-(phenylsulfamoyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
The canonical SMILES for 4-(phenylsulfamoyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide is CC(C(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1)n1cncn1.
What is the InChIKey of 4-(phenylsulfamoyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
The InChIKey is OUWUXRSZLHZDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O4S/c1-17(30-16-25-15-26-30)23(31)27-19-9-11-20(12-10-19)28-24(32)18-7-13-22(14-8-18)35(33,34)29-21-5-3-2-4-6-21/h2-17,29H,1H3,(H,27,31)(H,28,32).
What are the key properties of 4-(phenylsulfamoyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
4-(phenylsulfamoyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide has a molecular weight of 490.55 g/mol, XLogP of 3.53, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylsulfamoyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 55621765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).