2-[[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]methyl]benzamide

C19H21N5O4S — CID 136650924

IUPAC2-[[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]methyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc2[nH]c(O)c(/N=N/Cc3ccccc3C(N)=O)c2c1
InChIInChI=1S/C19H21N5O4S/c1-11(2)24-29(27,28)13-7-8-16-15(9-13)17(19(26)22-16)23-21-10-12-5-3-4-6-14(12)18(20)25/h3-9,11,22,24,26H,10H2,1-2H3,(H2,20,25)/b23-21+
InChIKeyQNHMGFUSHIJFLY-XTQSDGFTSA-N
MW415.48 g/mol
LogP2.94
Rot. Bonds7

About 2-[[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]methyl]benzamide

2-[[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]methyl]benzamide (PubChem CID 136650924) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is 2-[[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]methyl]benzamide
PubChem CID136650924
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name2-[[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]methyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc2[nH]c(O)c(/N=N/Cc3ccccc3C(N)=O)c2c1
InChIInChI=1S/C19H21N5O4S/c1-11(2)24-29(27,28)13-7-8-16-15(9-13)17(19(26)22-16)23-21-10-12-5-3-4-6-14(12)18(20)25/h3-9,11,22,24,26H,10H2,1-2H3,(H2,20,25)/b23-21+
InChIKeyQNHMGFUSHIJFLY-XTQSDGFTSA-N
XLogP2.94
TPSA150.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-3-[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]benzamide
CID 135971714
3-[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]methylideneamino]benzoic acid
CID 135971713
3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide
CID 135971735
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55672416
2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide
CID 866306
2-[(4-bromophenyl)sulfonylamino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135957644
4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide
CID 3134459
N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 3838454
2-chloro-N-[(2-phenylmethoxyphenyl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55806149
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-1-carboxamide
CID 135647538
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
CID 4658670
4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide
CID 82164855

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]methyl]benzamide?
The IUPAC name of 2-[[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]methyl]benzamide (CID 136650924) is 2-[[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]methyl]benzamide.
What is the SMILES notation for 2-[[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]methyl]benzamide?
The canonical SMILES for 2-[[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]methyl]benzamide is CC(C)NS(=O)(=O)c1ccc2[nH]c(O)c(/N=N/Cc3ccccc3C(N)=O)c2c1.
What is the InChIKey of 2-[[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]methyl]benzamide?
The InChIKey is QNHMGFUSHIJFLY-XTQSDGFTSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-11(2)24-29(27,28)13-7-8-16-15(9-13)17(19(26)22-16)23-21-10-12-5-3-4-6-14(12)18(20)25/h3-9,11,22,24,26H,10H2,1-2H3,(H2,20,25)/b23-21+.
What are the key properties of 2-[[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]methyl]benzamide?
2-[[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]methyl]benzamide has a molecular weight of 415.48 g/mol, XLogP of 2.94, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]methyl]benzamide is sourced from PubChem (CID 136650924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).