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

C15H13N5O5S — CID 135435002

IUPAC4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESCc1c([N+](=O)[O-])ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12
InChIInChI=1S/C15H13N5O5S/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)/b19-18+
InChIKeyVBDYHKNTTWQTJA-VHEBQXMUSA-N
MW375.37 g/mol
LogP3.15
Rot. Bonds4

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

4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide (PubChem CID 135435002) has the molecular formula C15H13N5O5S and a molecular weight of 375.37 g/mol. Its IUPAC name is 4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide
PubChem CID135435002
Molecular FormulaC15H13N5O5S
Molecular Weight375.37 g/mol
Exact Mass375.06
IUPAC Name4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESCc1c([N+](=O)[O-])ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12
InChIInChI=1S/C15H13N5O5S/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)/b19-18+
InChIKeyVBDYHKNTTWQTJA-VHEBQXMUSA-N
XLogP3.15
TPSA164.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.15
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

Oxindole-Based Inhibitor 44
CID 135405216
Oxindole-Based Inhibitor 29
CID 135409809
Oxindole-Based Inhibitor 17
CID 135434964
Oxindole-Based Inhibitor 26
CID 135434967
Oxindole-Based Inhibitor 28
CID 135434969
Oxindole-Based Inhibitor 33
CID 135434973
Oxindole-Based Inhibitor 35
CID 135434975
Oxindole-Based Inhibitor 39
CID 135434977
Oxindole-Based Inhibitor 41
CID 135434978
Oxindole-Based Inhibitor 42
CID 135434979
Oxindole-Based Inhibitor 46
CID 135434981
4-{2-[(3Z)-5-amino-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzene-1-sulfonamide hydrochloride
CID 135434982

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide (CID 135435002) is 4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide is Cc1c([N+](=O)[O-])ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12.
What is the InChIKey of 4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The InChIKey is VBDYHKNTTWQTJA-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H13N5O5S/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)/b19-18+.
What are the key properties of 4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide?
4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide has a molecular weight of 375.37 g/mol, XLogP of 3.15, 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 is sourced from PubChem (CID 135435002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).