2,3-dihydroxy-1-[[1-[(4-sulfamoylphenyl)methyl]triazol-4-yl]methyl]indole-5-carboxamide

C19H18N6O5S — CID 175375909

IUPAC2,3-dihydroxy-1-[[1-[(4-sulfamoylphenyl)methyl]triazol-4-yl]methyl]indole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)c(O)c(O)n2Cc1cn(Cc2ccc(S(N)(=O)=O)cc2)nn1
InChIInChI=1S/C19H18N6O5S/c20-18(27)12-3-6-16-15(7-12)17(26)19(28)25(16)10-13-9-24(23-22-13)8-11-1-4-14(5-2-11)31(21,29)30/h1-7,9,26,28H,8,10H2,(H2,20,27)(H2,21,29,30)
InChIKeyARSGSKXZBFABPX-UHFFFAOYSA-N
MW442.46 g/mol
LogP0.49
Rot. Bonds6

About 2,3-dihydroxy-1-[[1-[(4-sulfamoylphenyl)methyl]triazol-4-yl]methyl]indole-5-carboxamide

2,3-dihydroxy-1-[[1-[(4-sulfamoylphenyl)methyl]triazol-4-yl]methyl]indole-5-carboxamide (PubChem CID 175375909) has the molecular formula C19H18N6O5S and a molecular weight of 442.46 g/mol. Its IUPAC name is 2,3-dihydroxy-1-[[1-[(4-sulfamoylphenyl)methyl]triazol-4-yl]methyl]indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dihydroxy-1-[[1-[(4-sulfamoylphenyl)methyl]triazol-4-yl]methyl]indole-5-carboxamide
PubChem CID175375909
Molecular FormulaC19H18N6O5S
Molecular Weight442.46 g/mol
Exact Mass442.11
IUPAC Name2,3-dihydroxy-1-[[1-[(4-sulfamoylphenyl)methyl]triazol-4-yl]methyl]indole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)c(O)c(O)n2Cc1cn(Cc2ccc(S(N)(=O)=O)cc2)nn1
InChIInChI=1S/C19H18N6O5S/c20-18(27)12-3-6-16-15(7-12)17(26)19(28)25(16)10-13-9-24(23-22-13)8-11-1-4-14(5-2-11)31(21,29)30/h1-7,9,26,28H,8,10H2,(H2,20,27)(H2,21,29,30)
InChIKeyARSGSKXZBFABPX-UHFFFAOYSA-N
XLogP0.49
TPSA179.35 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-1-[[1-[(4-sulfamoylphenyl)methyl]triazol-4-yl]methyl]indole-5-carboxamide?
The IUPAC name of 2,3-dihydroxy-1-[[1-[(4-sulfamoylphenyl)methyl]triazol-4-yl]methyl]indole-5-carboxamide (CID 175375909) is 2,3-dihydroxy-1-[[1-[(4-sulfamoylphenyl)methyl]triazol-4-yl]methyl]indole-5-carboxamide.
What is the SMILES notation for 2,3-dihydroxy-1-[[1-[(4-sulfamoylphenyl)methyl]triazol-4-yl]methyl]indole-5-carboxamide?
The canonical SMILES for 2,3-dihydroxy-1-[[1-[(4-sulfamoylphenyl)methyl]triazol-4-yl]methyl]indole-5-carboxamide is NC(=O)c1ccc2c(c1)c(O)c(O)n2Cc1cn(Cc2ccc(S(N)(=O)=O)cc2)nn1.
What is the InChIKey of 2,3-dihydroxy-1-[[1-[(4-sulfamoylphenyl)methyl]triazol-4-yl]methyl]indole-5-carboxamide?
The InChIKey is ARSGSKXZBFABPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O5S/c20-18(27)12-3-6-16-15(7-12)17(26)19(28)25(16)10-13-9-24(23-22-13)8-11-1-4-14(5-2-11)31(21,29)30/h1-7,9,26,28H,8,10H2,(H2,20,27)(H2,21,29,30).
What are the key properties of 2,3-dihydroxy-1-[[1-[(4-sulfamoylphenyl)methyl]triazol-4-yl]methyl]indole-5-carboxamide?
2,3-dihydroxy-1-[[1-[(4-sulfamoylphenyl)methyl]triazol-4-yl]methyl]indole-5-carboxamide has a molecular weight of 442.46 g/mol, XLogP of 0.49, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-1-[[1-[(4-sulfamoylphenyl)methyl]triazol-4-yl]methyl]indole-5-carboxamide is sourced from PubChem (CID 175375909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).