4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide

C23H21N5O4S — CID 55845079

IUPAC4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccc(-n3cncn3)cc2)cc1
InChIInChI=1S/C23H21N5O4S/c1-32-22-5-3-2-4-21(22)27-33(30,31)20-12-8-18(9-13-20)23(29)25-14-17-6-10-19(11-7-17)28-16-24-15-26-28/h2-13,15-16,27H,14H2,1H3,(H,25,29)
InChIKeyUINCGLWRTMOLAR-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.01
Rot. Bonds8

About 4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide

4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide (PubChem CID 55845079) has the molecular formula C23H21N5O4S and a molecular weight of 463.52 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
PubChem CID55845079
Molecular FormulaC23H21N5O4S
Molecular Weight463.52 g/mol
Exact Mass463.13
IUPAC Name4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccc(-n3cncn3)cc2)cc1
InChIInChI=1S/C23H21N5O4S/c1-32-22-5-3-2-4-21(22)27-33(30,31)20-12-8-18(9-13-20)23(29)25-14-17-6-10-19(11-7-17)28-16-24-15-26-28/h2-13,15-16,27H,14H2,1H3,(H,25,29)
InChIKeyUINCGLWRTMOLAR-UHFFFAOYSA-N
XLogP3.01
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(ethoxymethyl)phenyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 30873016
N-[(3,5-difluorophenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 37391318
4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 30890199
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55621126
3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 86992268
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55734456
4-[(2-methoxyphenyl)sulfamoyl]-N-(4-pyrazol-1-ylphenyl)benzamide
CID 39463274
3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 24686310
2-[(3-nitrophenyl)sulfonylamino]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55964255
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26796078
4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832379
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide (CID 55845079) is 4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccc(-n3cncn3)cc2)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide?
The InChIKey is UINCGLWRTMOLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S/c1-32-22-5-3-2-4-21(22)27-33(30,31)20-12-8-18(9-13-20)23(29)25-14-17-6-10-19(11-7-17)28-16-24-15-26-28/h2-13,15-16,27H,14H2,1H3,(H,25,29).
What are the key properties of 4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide?
4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide has a molecular weight of 463.52 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 55845079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).