4-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzamide

C17H17N5O3S — CID 46547591

IUPAC4-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzamide
SMILESCCn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C17H17N5O3S/c1-2-22-11-19-20-17(22)13-4-3-5-14(10-13)21-26(24,25)15-8-6-12(7-9-15)16(18)23/h3-11,21H,2H2,1H3,(H2,18,23)
InChIKeyGZSLRAGDPVVDED-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.86
Rot. Bonds6

About 4-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzamide

4-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzamide (PubChem CID 46547591) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzamide
PubChem CID46547591
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name4-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzamide
SMILESCCn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C17H17N5O3S/c1-2-22-11-19-20-17(22)13-4-3-5-14(10-13)21-26(24,25)15-8-6-12(7-9-15)16(18)23/h3-11,21H,2H2,1H3,(H2,18,23)
InChIKeyGZSLRAGDPVVDED-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyano-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 39341757
4-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methylbenzenesulfonamide
CID 39341746
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 32577899
4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32582091
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 32581647
(2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide
CID 32581802
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3,5-difluorobenzamide
CID 32572893
4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide
CID 18286126
cis-(1S,3R)-3-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065292
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 32582171
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 32580860
N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide
CID 25325851

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzamide?
The IUPAC name of 4-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzamide (CID 46547591) is 4-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for 4-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for 4-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzamide is CCn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzamide?
The InChIKey is GZSLRAGDPVVDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-2-22-11-19-20-17(22)13-4-3-5-14(10-13)21-26(24,25)15-8-6-12(7-9-15)16(18)23/h3-11,21H,2H2,1H3,(H2,18,23).
What are the key properties of 4-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzamide?
4-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzamide has a molecular weight of 371.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 46547591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).