4-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzenesulfonamide

C15H13ClN4O3S — CID 135434999

IUPAC4-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESCc1cc(Cl)cc2c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(O)[nH]c12
InChIInChI=1S/C15H13ClN4O3S/c1-8-6-9(16)7-12-13(8)18-15(21)14(12)20-19-10-2-4-11(5-3-10)24(17,22)23/h2-7,18,21H,1H3,(H2,17,22,23)/b20-19+
InChIKeyUPAYQAVEXCQREB-FMQUCBEESA-N
MW364.81 g/mol
LogP3.90
Rot. Bonds3

About 4-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzenesulfonamide

4-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzenesulfonamide (PubChem CID 135434999) has the molecular formula C15H13ClN4O3S and a molecular weight of 364.81 g/mol. Its IUPAC name is 4-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzenesulfonamide
PubChem CID135434999
Molecular FormulaC15H13ClN4O3S
Molecular Weight364.81 g/mol
Exact Mass364.04
IUPAC Name4-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESCc1cc(Cl)cc2c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(O)[nH]c12
InChIInChI=1S/C15H13ClN4O3S/c1-8-6-9(16)7-12-13(8)18-15(21)14(12)20-19-10-2-4-11(5-3-10)24(17,22)23/h2-7,18,21H,1H3,(H2,17,22,23)/b20-19+
InChIKeyUPAYQAVEXCQREB-FMQUCBEESA-N
XLogP3.90
TPSA120.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzenesulfonamide (CID 135434999) is 4-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzenesulfonamide is Cc1cc(Cl)cc2c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(O)[nH]c12.
What is the InChIKey of 4-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The InChIKey is UPAYQAVEXCQREB-FMQUCBEESA-N. The full InChI is InChI=1S/C15H13ClN4O3S/c1-8-6-9(16)7-12-13(8)18-15(21)14(12)20-19-10-2-4-11(5-3-10)24(17,22)23/h2-7,18,21H,1H3,(H2,17,22,23)/b20-19+.
What are the key properties of 4-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzenesulfonamide?
4-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzenesulfonamide has a molecular weight of 364.81 g/mol, XLogP of 3.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 135434999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).