4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide;molecular hydrogen

C15H15N5O5S — CID 158281519

IUPAC4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide;molecular hydrogen
SMILESCc1c([N+](=O)[O-])ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12.[H][H]
InChIInChI=1S/C15H13N5O5S.H2/c1-8-12(20(22)23)7-6-11-13(8)14(15(21)17-11)19-18-9-2-4-10(5-3-9)26(16,24)25;/h2-7,17,21H,1H3,(H2,16,24,25);1H/b19-18+;
InChIKeyFBUZMEMEZZTPPX-LTRPLHCISA-N
MW377.38 g/mol
LogP3.40
Rot. Bonds4

About 4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide;molecular hydrogen

4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide;molecular hydrogen (PubChem CID 158281519) has the molecular formula C15H15N5O5S and a molecular weight of 377.38 g/mol. Its IUPAC name is 4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide;molecular hydrogen
PubChem CID158281519
Molecular FormulaC15H15N5O5S
Molecular Weight377.38 g/mol
Exact Mass377.08
IUPAC Name4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide;molecular hydrogen
SMILESCc1c([N+](=O)[O-])ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12.[H][H]
InChIInChI=1S/C15H13N5O5S.H2/c1-8-12(20(22)23)7-6-11-13(8)14(15(21)17-11)19-18-9-2-4-10(5-3-9)26(16,24)25;/h2-7,17,21H,1H3,(H2,16,24,25);1H/b19-18+;
InChIKeyFBUZMEMEZZTPPX-LTRPLHCISA-N
XLogP3.40
TPSA164.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[[2-hydroxy-4-(2-methylprop-1-enyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide
CID 135409809
4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
CID 135434982
4-[[4-(cyclobutylidenemethyl)-2-hydroxy-1H-indol-3-yl]diazenyl]benzenesulfonamide
CID 135418489
4-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
CID 135434992
4-[(6-hydroxy-4-methyl-5-nitro-2-oxo-1H-pyridin-3-yl)diazenyl]benzenesulfonic acid
CID 136714084
CID 135981069
CID 135981069
4-[(7-oxo-3,6-dihydro-2H-pyrrolo[3,2-e]benzotriazol-8-yl)diazenyl]benzenesulfonamide
CID 135435005
3-hydroxy-4-[(3-methyl-4-nitrophenyl)diazenyl]naphthalene-1-sulfonic acid
CID 136855701
4-hydroxy-3-[[4-hydroxy-3-(methylamino)phenyl]diazenyl]-5-nitrobenzenesulfonamide
CID 147913674
6-bromo-2-methyl-3-nitrophenol
CID 130927076
2-amino-3-methyl-4-nitrophenol
CID 86240740
3-methyl-2,4-dinitrobenzenesulfonamide
CID 87787870

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide;molecular hydrogen?
The IUPAC name of 4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide;molecular hydrogen (CID 158281519) is 4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide;molecular hydrogen?
The canonical SMILES for 4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide;molecular hydrogen is Cc1c([N+](=O)[O-])ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12.[H][H].
What is the InChIKey of 4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide;molecular hydrogen?
The InChIKey is FBUZMEMEZZTPPX-LTRPLHCISA-N. The full InChI is InChI=1S/C15H13N5O5S.H2/c1-8-12(20(22)23)7-6-11-13(8)14(15(21)17-11)19-18-9-2-4-10(5-3-9)26(16,24)25;/h2-7,17,21H,1H3,(H2,16,24,25);1H/b19-18+;.
What are the key properties of 4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide;molecular hydrogen?
4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide;molecular hydrogen has a molecular weight of 377.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 158281519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).