2-hydroxy-N-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)diazenyl]-1H-indole-5-sulfonamide

C22H19N5O6S — CID 135971795

IUPAC2-hydroxy-N-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)diazenyl]-1H-indole-5-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc3[nH]c(O)c(/N=N/c4ccccc4[N+](=O)[O-])c3c2)cc1
InChIInChI=1S/C22H19N5O6S/c1-33-15-8-6-14(7-9-15)13-23-34(31,32)16-10-11-18-17(12-16)21(22(28)24-18)26-25-19-4-2-3-5-20(19)27(29)30/h2-12,23-24,28H,13H2,1H3/b26-25+
InChIKeyQZNRBGYMNJCLKC-OCEACIFDSA-N
MW481.49 g/mol
LogP4.68
Rot. Bonds8

About 2-hydroxy-N-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)diazenyl]-1H-indole-5-sulfonamide

2-hydroxy-N-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)diazenyl]-1H-indole-5-sulfonamide (PubChem CID 135971795) has the molecular formula C22H19N5O6S and a molecular weight of 481.49 g/mol. Its IUPAC name is 2-hydroxy-N-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)diazenyl]-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)diazenyl]-1H-indole-5-sulfonamide
PubChem CID135971795
Molecular FormulaC22H19N5O6S
Molecular Weight481.49 g/mol
Exact Mass481.11
IUPAC Name2-hydroxy-N-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)diazenyl]-1H-indole-5-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc3[nH]c(O)c(/N=N/c4ccccc4[N+](=O)[O-])c3c2)cc1
InChIInChI=1S/C22H19N5O6S/c1-33-15-8-6-14(7-9-15)13-23-34(31,32)16-10-11-18-17(12-16)21(22(28)24-18)26-25-19-4-2-3-5-20(19)27(29)30/h2-12,23-24,28H,13H2,1H3/b26-25+
InChIKeyQZNRBGYMNJCLKC-OCEACIFDSA-N
XLogP4.68
TPSA159.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.49
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[4-[(4-methoxyphenyl)methylsulfamoyl]-N-methyl-2-nitroanilino] methanesulfonate
CID 175434182
N-[(3-methoxyphenyl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 31481454
4-[2-chloroethyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-3-nitrobenzenesulfonamide
CID 162754049
8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol
CID 135755077
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
5-chloro-N-[(4-methoxyphenyl)methyl]-4-nitrothiophene-2-sulfonamide
CID 146421957
4-[(4-methoxyphenyl)methylamino]-3-nitro-N-phenylbenzenesulfonamide
CID 9282022
4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide
CID 4046987
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 743835
3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
CID 3559649
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
N-[(4-chlorophenyl)methyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 19872494

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)diazenyl]-1H-indole-5-sulfonamide?
The IUPAC name of 2-hydroxy-N-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)diazenyl]-1H-indole-5-sulfonamide (CID 135971795) is 2-hydroxy-N-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)diazenyl]-1H-indole-5-sulfonamide.
What is the SMILES notation for 2-hydroxy-N-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)diazenyl]-1H-indole-5-sulfonamide?
The canonical SMILES for 2-hydroxy-N-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)diazenyl]-1H-indole-5-sulfonamide is COc1ccc(CNS(=O)(=O)c2ccc3[nH]c(O)c(/N=N/c4ccccc4[N+](=O)[O-])c3c2)cc1.
What is the InChIKey of 2-hydroxy-N-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)diazenyl]-1H-indole-5-sulfonamide?
The InChIKey is QZNRBGYMNJCLKC-OCEACIFDSA-N. The full InChI is InChI=1S/C22H19N5O6S/c1-33-15-8-6-14(7-9-15)13-23-34(31,32)16-10-11-18-17(12-16)21(22(28)24-18)26-25-19-4-2-3-5-20(19)27(29)30/h2-12,23-24,28H,13H2,1H3/b26-25+.
What are the key properties of 2-hydroxy-N-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)diazenyl]-1H-indole-5-sulfonamide?
2-hydroxy-N-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)diazenyl]-1H-indole-5-sulfonamide has a molecular weight of 481.49 g/mol, XLogP of 4.68, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)diazenyl]-1H-indole-5-sulfonamide is sourced from PubChem (CID 135971795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).