N-[(1-benzyltriazol-4-yl)methyl]-4-sulfamoylbenzamide

C17H17N5O3S — CID 141219916

IUPACN-[(1-benzyltriazol-4-yl)methyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCc2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C17H17N5O3S/c18-26(24,25)16-8-6-14(7-9-16)17(23)19-10-15-12-22(21-20-15)11-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,19,23)(H2,18,24,25)
InChIKeyVXSHLZVFDXGXNE-UHFFFAOYSA-N
MW371.42 g/mol
LogP0.90
Rot. Bonds6

About N-[(1-benzyltriazol-4-yl)methyl]-4-sulfamoylbenzamide

N-[(1-benzyltriazol-4-yl)methyl]-4-sulfamoylbenzamide (PubChem CID 141219916) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[(1-benzyltriazol-4-yl)methyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(1-benzyltriazol-4-yl)methyl]-4-sulfamoylbenzamide
PubChem CID141219916
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC NameN-[(1-benzyltriazol-4-yl)methyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCc2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C17H17N5O3S/c18-26(24,25)16-8-6-14(7-9-16)17(23)19-10-15-12-22(21-20-15)11-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,19,23)(H2,18,24,25)
InChIKeyVXSHLZVFDXGXNE-UHFFFAOYSA-N
XLogP0.90
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
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-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-3-methylsulfonylbenzamide
CID 53377641
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-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 4172772
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-[(1-methyltriazol-4-yl)methyl]benzamide
CID 145952572
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
N-benzyl-N-[2-(1-benzyltriazol-4-yl)ethyl]-4-(phenylsulfamoyl)benzamide
CID 168292807
N-[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]-4-(piperidine-1-sulfonyl)benzamide
CID 5109873
(2S,4S)-1-[(2S)-2-benzamido-2-cyclohexyl-acetyl]-N-[(1S)-3-methyl-1-(p-tolylsulfonylcarbamoyl)butyl]-4-(4-phenyltriazol-1-yl)pyrrolidine-2-carboxamide
CID 122184335

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]-4-sulfamoylbenzamide (CID 141219916) is N-[(1-benzyltriazol-4-yl)methyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(1-benzyltriazol-4-yl)methyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(1-benzyltriazol-4-yl)methyl]-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)NCc2cn(Cc3ccccc3)nn2)cc1.
What is the InChIKey of N-[(1-benzyltriazol-4-yl)methyl]-4-sulfamoylbenzamide?
The InChIKey is VXSHLZVFDXGXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c18-26(24,25)16-8-6-14(7-9-16)17(23)19-10-15-12-22(21-20-15)11-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,19,23)(H2,18,24,25).
What are the key properties of N-[(1-benzyltriazol-4-yl)methyl]-4-sulfamoylbenzamide?
N-[(1-benzyltriazol-4-yl)methyl]-4-sulfamoylbenzamide has a molecular weight of 371.42 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyltriazol-4-yl)methyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 141219916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).