5-[(4-formyl-3-hydroxynaphthalen-2-yl)diazenyl]-2-methylbenzenesulfonamide

C18H15N3O4S — CID 162653532

IUPAC5-[(4-formyl-3-hydroxynaphthalen-2-yl)diazenyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(/N=N/c2cc3ccccc3c(C=O)c2O)cc1S(N)(=O)=O
InChIInChI=1S/C18H15N3O4S/c1-11-6-7-13(9-17(11)26(19,24)25)20-21-16-8-12-4-2-3-5-14(12)15(10-22)18(16)23/h2-10,23H,1H3,(H2,19,24,25)/b21-20+
InChIKeyKDDFJLNFZVDNAA-QZQOTICOSA-N
MW369.40 g/mol
LogP3.73
Rot. Bonds4

About 5-[(4-formyl-3-hydroxynaphthalen-2-yl)diazenyl]-2-methylbenzenesulfonamide

5-[(4-formyl-3-hydroxynaphthalen-2-yl)diazenyl]-2-methylbenzenesulfonamide (PubChem CID 162653532) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-[(4-formyl-3-hydroxynaphthalen-2-yl)diazenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(4-formyl-3-hydroxynaphthalen-2-yl)diazenyl]-2-methylbenzenesulfonamide
PubChem CID162653532
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name5-[(4-formyl-3-hydroxynaphthalen-2-yl)diazenyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(/N=N/c2cc3ccccc3c(C=O)c2O)cc1S(N)(=O)=O
InChIInChI=1S/C18H15N3O4S/c1-11-6-7-13(9-17(11)26(19,24)25)20-21-16-8-12-4-2-3-5-14(12)15(10-22)18(16)23/h2-10,23H,1H3,(H2,19,24,25)/b21-20+
InChIKeyKDDFJLNFZVDNAA-QZQOTICOSA-N
XLogP3.73
TPSA122.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-formyl-3-hydroxynaphthalen-2-yl)diazenyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-[(4-formyl-3-hydroxynaphthalen-2-yl)diazenyl]-2-methylbenzenesulfonamide (CID 162653532) is 5-[(4-formyl-3-hydroxynaphthalen-2-yl)diazenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[(4-formyl-3-hydroxynaphthalen-2-yl)diazenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[(4-formyl-3-hydroxynaphthalen-2-yl)diazenyl]-2-methylbenzenesulfonamide is Cc1ccc(/N=N/c2cc3ccccc3c(C=O)c2O)cc1S(N)(=O)=O.
What is the InChIKey of 5-[(4-formyl-3-hydroxynaphthalen-2-yl)diazenyl]-2-methylbenzenesulfonamide?
The InChIKey is KDDFJLNFZVDNAA-QZQOTICOSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-11-6-7-13(9-17(11)26(19,24)25)20-21-16-8-12-4-2-3-5-14(12)15(10-22)18(16)23/h2-10,23H,1H3,(H2,19,24,25)/b21-20+.
What are the key properties of 5-[(4-formyl-3-hydroxynaphthalen-2-yl)diazenyl]-2-methylbenzenesulfonamide?
5-[(4-formyl-3-hydroxynaphthalen-2-yl)diazenyl]-2-methylbenzenesulfonamide has a molecular weight of 369.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-formyl-3-hydroxynaphthalen-2-yl)diazenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 162653532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).