4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide

C23H21N5O3S — CID 4172772

IUPAC4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21N5O3S/c1-27(2)32(30,31)21-14-8-18(9-15-21)23(29)25-19-10-12-20(13-11-19)28-22(16-24-26-28)17-6-4-3-5-7-17/h3-16H,1-2H3,(H,25,29)
InChIKeyZJMWGPMHRIVTGI-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.44
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide

4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide (PubChem CID 4172772) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
PubChem CID4172772
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21N5O3S/c1-27(2)32(30,31)21-14-8-18(9-15-21)23(29)25-19-10-12-20(13-11-19)28-22(16-24-26-28)17-6-4-3-5-7-17/h3-16H,1-2H3,(H,25,29)
InChIKeyZJMWGPMHRIVTGI-UHFFFAOYSA-N
XLogP3.44
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-benzyl-3-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]butanamide
CID 59552403
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2812918
4-[(4-methylbenzenesulfonamido)methyl]-N-(pyridin-3-yl)benzamide
CID 50914751
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-4-sulfamoylbenzamide
CID 53377643
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-4-(methylsulfamoyl)benzamide
CID 53377752
4-[[[3-(1-methylpyrazol-3-yl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70654733
N-[2-(4-phenyltriazol-1-yl)phenyl]benzamide
CID 145976004
3-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
CID 148291912
N-[(E)-[4-(benzotriazol-1-yl)phenyl]methylideneamino]-4-sulfamoylbenzamide
CID 155516701
N-benzyl-N-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-4-(phenylsulfamoyl)benzamide
CID 168274750
N-benzyl-4-(phenylsulfamoyl)-N-[[1-(pyridin-4-ylmethyl)triazol-4-yl]methyl]benzamide
CID 168279052
N-benzyl-N-[(1-benzyltriazol-4-yl)methyl]-4-(phenylsulfamoyl)benzamide
CID 168280187

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide (CID 4172772) is 4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
The InChIKey is ZJMWGPMHRIVTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c1-27(2)32(30,31)21-14-8-18(9-15-21)23(29)25-19-10-12-20(13-11-19)28-22(16-24-26-28)17-6-4-3-5-7-17/h3-16H,1-2H3,(H,25,29).
What are the key properties of 4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide has a molecular weight of 447.52 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 4172772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).