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

C23H23N5O5S — CID 135971714

IUPACN-(furan-2-ylmethyl)-3-[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc2[nH]c(O)c(/N=N/c3cccc(C(=O)NCc4ccco4)c3)c2c1
InChIInChI=1S/C23H23N5O5S/c1-14(2)28-34(31,32)18-8-9-20-19(12-18)21(23(30)25-20)27-26-16-6-3-5-15(11-16)22(29)24-13-17-7-4-10-33-17/h3-12,14,25,28,30H,13H2,1-2H3,(H,24,29)/b27-26+
InChIKeyWCCJPCOKZSZRLU-CYYJNZCTSA-N
MW481.53 g/mol
LogP4.50
Rot. Bonds8

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

N-(furan-2-ylmethyl)-3-[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]benzamide (PubChem CID 135971714) has the molecular formula C23H23N5O5S and a molecular weight of 481.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]benzamide
PubChem CID135971714
Molecular FormulaC23H23N5O5S
Molecular Weight481.53 g/mol
Exact Mass481.14
IUPAC NameN-(furan-2-ylmethyl)-3-[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc2[nH]c(O)c(/N=N/c3cccc(C(=O)NCc4ccco4)c3)c2c1
InChIInChI=1S/C23H23N5O5S/c1-14(2)28-34(31,32)18-8-9-20-19(12-18)21(23(30)25-20)27-26-16-6-3-5-15(11-16)22(29)24-13-17-7-4-10-33-17/h3-12,14,25,28,30H,13H2,1-2H3,(H,24,29)/b27-26+
InChIKeyWCCJPCOKZSZRLU-CYYJNZCTSA-N
XLogP4.50
TPSA149.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

3-[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]methylideneamino]benzoic acid
CID 135971713
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109064485
3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109064483
2-[[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]methyl]benzamide
CID 136650924
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 27824397
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 119245913
N-(furan-2-ylmethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063553
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
3-(dipropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 26909549
3-(furan-2-ylmethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 35612745

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]benzamide (CID 135971714) is N-(furan-2-ylmethyl)-3-[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]benzamide is CC(C)NS(=O)(=O)c1ccc2[nH]c(O)c(/N=N/c3cccc(C(=O)NCc4ccco4)c3)c2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]benzamide?
The InChIKey is WCCJPCOKZSZRLU-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H23N5O5S/c1-14(2)28-34(31,32)18-8-9-20-19(12-18)21(23(30)25-20)27-26-16-6-3-5-15(11-16)22(29)24-13-17-7-4-10-33-17/h3-12,14,25,28,30H,13H2,1-2H3,(H,24,29)/b27-26+.
What are the key properties of N-(furan-2-ylmethyl)-3-[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]benzamide?
N-(furan-2-ylmethyl)-3-[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]benzamide has a molecular weight of 481.53 g/mol, XLogP of 4.50, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]benzamide is sourced from PubChem (CID 135971714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).