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

C14H11N5O5S — CID 135434977

IUPAC4-[(2-hydroxy-4-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc([N+](=O)[O-])c23)cc1
InChIInChI=1S/C14H11N5O5S/c15-25(23,24)9-6-4-8(5-7-9)17-18-13-12-10(16-14(13)20)2-1-3-11(12)19(21)22/h1-7,16,20H,(H2,15,23,24)/b18-17+
InChIKeyKGPGWJDNPGCBFQ-ISLYRVAYSA-N
MW361.34 g/mol
LogP2.84
Rot. Bonds4

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

4-[(2-hydroxy-4-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide (PubChem CID 135434977) has the molecular formula C14H11N5O5S and a molecular weight of 361.34 g/mol. Its IUPAC name is 4-[(2-hydroxy-4-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-4-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide
PubChem CID135434977
Molecular FormulaC14H11N5O5S
Molecular Weight361.34 g/mol
Exact Mass361.05
IUPAC Name4-[(2-hydroxy-4-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc([N+](=O)[O-])c23)cc1
InChIInChI=1S/C14H11N5O5S/c15-25(23,24)9-6-4-8(5-7-9)17-18-13-12-10(16-14(13)20)2-1-3-11(12)19(21)22/h1-7,16,20H,(H2,15,23,24)/b18-17+
InChIKeyKGPGWJDNPGCBFQ-ISLYRVAYSA-N
XLogP2.84
TPSA164.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 52.84
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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-4-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-4-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide (CID 135434977) is 4-[(2-hydroxy-4-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-4-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-4-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc([N+](=O)[O-])c23)cc1.
What is the InChIKey of 4-[(2-hydroxy-4-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The InChIKey is KGPGWJDNPGCBFQ-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H11N5O5S/c15-25(23,24)9-6-4-8(5-7-9)17-18-13-12-10(16-14(13)20)2-1-3-11(12)19(21)22/h1-7,16,20H,(H2,15,23,24)/b18-17+.
What are the key properties of 4-[(2-hydroxy-4-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide?
4-[(2-hydroxy-4-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide has a molecular weight of 361.34 g/mol, XLogP of 2.84, 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-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 135434977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).