7-chloro-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-ol

C17H12ClN3O5S — CID 136661111

IUPAC7-chloro-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-ol
SMILESCS(=O)(=O)c1cc([N+](=O)[O-])ccc1/N=N/c1ccc(O)c2cc(Cl)ccc12
InChIInChI=1S/C17H12ClN3O5S/c1-27(25,26)17-9-11(21(23)24)3-5-15(17)20-19-14-6-7-16(22)13-8-10(18)2-4-12(13)14/h2-9,22H,1H3/b20-19+
InChIKeyRWVLDYAUOFETGX-FMQUCBEESA-N
MW405.82 g/mol
LogP4.93
Rot. Bonds4

About 7-chloro-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-ol

7-chloro-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-ol (PubChem CID 136661111) has the molecular formula C17H12ClN3O5S and a molecular weight of 405.82 g/mol. Its IUPAC name is 7-chloro-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name7-chloro-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-ol
PubChem CID136661111
Molecular FormulaC17H12ClN3O5S
Molecular Weight405.82 g/mol
Exact Mass405.02
IUPAC Name7-chloro-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-ol
SMILESCS(=O)(=O)c1cc([N+](=O)[O-])ccc1/N=N/c1ccc(O)c2cc(Cl)ccc12
InChIInChI=1S/C17H12ClN3O5S/c1-27(25,26)17-9-11(21(23)24)3-5-15(17)20-19-14-6-7-16(22)13-8-10(18)2-4-12(13)14/h2-9,22H,1H3/b20-19+
InChIKeyRWVLDYAUOFETGX-FMQUCBEESA-N
XLogP4.93
TPSA122.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.82
LogP ≤ 54.93
H-Bond Donors ≤ 51
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

5-hydroxy-8-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalene-1-sulfonyl chloride
CID 135819037
4-chloro-2-methylsulfonylphenol
CID 130032505
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid
CID 19238
2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol
CID 135595304
4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol
CID 3094136
5-hydroxy-2-[(4-nitrophenyl)diazenyl]benzenesulfonic acid
CID 136981116
2-[(6-dodecyl-13,13-dimethyl-1,4,8,11-tetraoxacyclotetradec-6-yl)methyl]-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]phenol
CID 135727116
copper;hydron;3-[[4-hydroxy-3-[(4-nitro-2-sulfonatophenyl)diazenyl]-2-oxidophenyl]diazenyl]-5-nitro-2-oxidobenzenesulfonate
CID 165361128
2-(5-chloro-2-hydroxyphenyl)-1-(4-nitrophenyl)ethanone
CID 157380629
hydrogen sulfate;2-methylsulfonyl-4-nitrobenzenediazonium
CID 71374569
CID 170854100
CID 170854100
2-[(2,5-dichlorophenyl)iminomethyl]-4-nitrophenol
CID 690802

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-ol?
The IUPAC name of 7-chloro-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-ol (CID 136661111) is 7-chloro-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-ol.
What is the SMILES notation for 7-chloro-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-ol?
The canonical SMILES for 7-chloro-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-ol is CS(=O)(=O)c1cc([N+](=O)[O-])ccc1/N=N/c1ccc(O)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-ol?
The InChIKey is RWVLDYAUOFETGX-FMQUCBEESA-N. The full InChI is InChI=1S/C17H12ClN3O5S/c1-27(25,26)17-9-11(21(23)24)3-5-15(17)20-19-14-6-7-16(22)13-8-10(18)2-4-12(13)14/h2-9,22H,1H3/b20-19+.
What are the key properties of 7-chloro-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-ol?
7-chloro-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-ol has a molecular weight of 405.82 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-ol is sourced from PubChem (CID 136661111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).