N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

C23H20ClN5O3S — CID 42064323

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C23H20ClN5O3S/c1-16-6-11-19(12-22(16)33(31,32)28-21-5-3-2-4-20(21)24)27-23(30)18-9-7-17(8-10-18)13-29-15-25-14-26-29/h2-12,14-15,28H,13H2,1H3,(H,27,30)
InChIKeyHIHMVVWRUCFPRY-UHFFFAOYSA-N
MW481.97 g/mol
LogP4.34
Rot. Bonds7

About N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 42064323) has the molecular formula C23H20ClN5O3S and a molecular weight of 481.97 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID42064323
Molecular FormulaC23H20ClN5O3S
Molecular Weight481.97 g/mol
Exact Mass481.10
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C23H20ClN5O3S/c1-16-6-11-19(12-22(16)33(31,32)28-21-5-3-2-4-20(21)24)27-23(30)18-9-7-17(8-10-18)13-29-15-25-14-26-29/h2-12,14-15,28H,13H2,1H3,(H,27,30)
InChIKeyHIHMVVWRUCFPRY-UHFFFAOYSA-N
XLogP4.34
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.97
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24648421
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 35932965
N-(3-iodo-4-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24590803
2-(methanesulfonamido)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 78862640
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylsulfanylacetamide
CID 9243850
2,4,5-trimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 50842138
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 9411375
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 26045640
N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394811
(2R)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbutanamide
CID 35560710

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 42064323) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is Cc1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is HIHMVVWRUCFPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O3S/c1-16-6-11-19(12-22(16)33(31,32)28-21-5-3-2-4-20(21)24)27-23(30)18-9-7-17(8-10-18)13-29-15-25-14-26-29/h2-12,14-15,28H,13H2,1H3,(H,27,30).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 481.97 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 42064323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).