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

C24H23N5O4S — CID 4617709

IUPAC4-(dimethylsulfamoyl)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
SMILESCOc1ccc(-c2cnnn2-c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1
InChIInChI=1S/C24H23N5O4S/c1-28(2)34(31,32)22-14-6-18(7-15-22)24(30)26-19-8-10-20(11-9-19)29-23(16-25-27-29)17-4-12-21(33-3)13-5-17/h4-16H,1-3H3,(H,26,30)
InChIKeyBMFSALADOLYENT-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.45
Rot. Bonds7

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

4-(dimethylsulfamoyl)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide (PubChem CID 4617709) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
PubChem CID4617709
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC Name4-(dimethylsulfamoyl)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
SMILESCOc1ccc(-c2cnnn2-c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1
InChIInChI=1S/C24H23N5O4S/c1-28(2)34(31,32)22-14-6-18(7-15-22)24(30)26-19-8-10-20(11-9-19)29-23(16-25-27-29)17-4-12-21(33-3)13-5-17/h4-16H,1-3H3,(H,26,30)
InChIKeyBMFSALADOLYENT-UHFFFAOYSA-N
XLogP3.45
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 3288452
N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4162672
N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}-4-methoxybenzamide
CID 4302061
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 6902377
3-(4-Methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide
CID 76329100
6-[4-(4-Methoxyphenyl)triazol-1-yl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 90654826
N-[2-[4-(4-methoxyphenyl)triazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 145964790
4-[4-(4-Methoxybenzoyl)triazol-1-yl]benzenesulfonamide
CID 145971736
N-[4-(5-tert-butyltriazol-1-yl)phenyl]-4-methoxybenzamide
CID 4656417
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 40201112
N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4111114
2,6-difluoro-N-{4-[5-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}benzamide
CID 4227880

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide (CID 4617709) is 4-(dimethylsulfamoyl)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide is COc1ccc(-c2cnnn2-c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide?
The InChIKey is BMFSALADOLYENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-28(2)34(31,32)22-14-6-18(7-15-22)24(30)26-19-8-10-20(11-9-19)29-23(16-25-27-29)17-4-12-21(33-3)13-5-17/h4-16H,1-3H3,(H,26,30).
What are the key properties of 4-(dimethylsulfamoyl)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide?
4-(dimethylsulfamoyl)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide has a molecular weight of 477.55 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 4617709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).