6-(ethylamino)-5-[(5-ethylsulfonyl-2-methoxyphenyl)diazenyl]-2-[(2-hydroxy-5-methoxyphenyl)diazenyl]naphthalen-1-ol

C28H29N5O6S — CID 136985405

IUPAC6-(ethylamino)-5-[(5-ethylsulfonyl-2-methoxyphenyl)diazenyl]-2-[(2-hydroxy-5-methoxyphenyl)diazenyl]naphthalen-1-ol
SMILESCCNc1ccc2c(O)c(/N=N/c3cc(OC)ccc3O)ccc2c1/N=N/c1cc(S(=O)(=O)CC)ccc1OC
InChIInChI=1S/C28H29N5O6S/c1-5-29-21-11-10-20-19(9-12-22(28(20)35)30-31-23-15-17(38-3)7-13-25(23)34)27(21)33-32-24-16-18(40(36,37)6-2)8-14-26(24)39-4/h7-16,29,34-35H,5-6H2,1-4H3/b31-30+,33-32+
InChIKeyMAZKPSWYVJUTJP-CJQWSLHQSA-N
MW563.64 g/mol
LogP7.32
Rot. Bonds10

About 6-(ethylamino)-5-[(5-ethylsulfonyl-2-methoxyphenyl)diazenyl]-2-[(2-hydroxy-5-methoxyphenyl)diazenyl]naphthalen-1-ol

6-(ethylamino)-5-[(5-ethylsulfonyl-2-methoxyphenyl)diazenyl]-2-[(2-hydroxy-5-methoxyphenyl)diazenyl]naphthalen-1-ol (PubChem CID 136985405) has the molecular formula C28H29N5O6S and a molecular weight of 563.64 g/mol. Its IUPAC name is 6-(ethylamino)-5-[(5-ethylsulfonyl-2-methoxyphenyl)diazenyl]-2-[(2-hydroxy-5-methoxyphenyl)diazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name6-(ethylamino)-5-[(5-ethylsulfonyl-2-methoxyphenyl)diazenyl]-2-[(2-hydroxy-5-methoxyphenyl)diazenyl]naphthalen-1-ol
PubChem CID136985405
Molecular FormulaC28H29N5O6S
Molecular Weight563.64 g/mol
Exact Mass563.18
IUPAC Name6-(ethylamino)-5-[(5-ethylsulfonyl-2-methoxyphenyl)diazenyl]-2-[(2-hydroxy-5-methoxyphenyl)diazenyl]naphthalen-1-ol
SMILESCCNc1ccc2c(O)c(/N=N/c3cc(OC)ccc3O)ccc2c1/N=N/c1cc(S(=O)(=O)CC)ccc1OC
InChIInChI=1S/C28H29N5O6S/c1-5-29-21-11-10-20-19(9-12-22(28(20)35)30-31-23-15-17(38-3)7-13-25(23)34)27(21)33-32-24-16-18(40(36,37)6-2)8-14-26(24)39-4/h7-16,29,34-35H,5-6H2,1-4H3/b31-30+,33-32+
InChIKeyMAZKPSWYVJUTJP-CJQWSLHQSA-N
XLogP7.32
TPSA154.53 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500563.64
LogP ≤ 57.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

6-(ethylamino)-5-[(4-ethylsulfonyl-2,5-dimethoxyphenyl)diazenyl]-2-[(4-ethylsulfonyl-2-hydroxy-5-methoxyphenyl)diazenyl]naphthalen-1-ol
CID 136985428
4-hydroxy-3-[(2-methoxy-5-sulfophenyl)diazenyl]-7-(methylamino)-8-[(2-methyl-4-propylsulfonylphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136652758
N-(2,5-dimethoxyphenyl)-3-hydroxy-4-[[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]diazenyl]naphthalene-2-carboxamide
CID 3018846
sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol)
CID 170839898
2-[(5-ethylsulfonyl-2-methoxyphenyl)diazenyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 135894148
7-amino-4-hydroxy-3-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-8-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 136613958
5-amino-6-[(5-ethylsulfonyl-2-methoxyphenyl)diazenyl]-3-[(3-ethylsulfonylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 158774030
1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 21184626
4-hydroxy-3-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-7-methyl-5-(methylamino)naphthalene-2-sulfonic acid;methane
CID 158635020
7-anilino-4-hydroxy-3-[[2-hydroxy-5-methoxy-4-[(4-methoxy-2-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 137280015
4-hydroxy-7-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-[(2-methoxy-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136756806
3-[[2-hydroxy-3-sulfo-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-4-methoxy-7-(methylamino)-8-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 136985463

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-5-[(5-ethylsulfonyl-2-methoxyphenyl)diazenyl]-2-[(2-hydroxy-5-methoxyphenyl)diazenyl]naphthalen-1-ol?
The IUPAC name of 6-(ethylamino)-5-[(5-ethylsulfonyl-2-methoxyphenyl)diazenyl]-2-[(2-hydroxy-5-methoxyphenyl)diazenyl]naphthalen-1-ol (CID 136985405) is 6-(ethylamino)-5-[(5-ethylsulfonyl-2-methoxyphenyl)diazenyl]-2-[(2-hydroxy-5-methoxyphenyl)diazenyl]naphthalen-1-ol.
What is the SMILES notation for 6-(ethylamino)-5-[(5-ethylsulfonyl-2-methoxyphenyl)diazenyl]-2-[(2-hydroxy-5-methoxyphenyl)diazenyl]naphthalen-1-ol?
The canonical SMILES for 6-(ethylamino)-5-[(5-ethylsulfonyl-2-methoxyphenyl)diazenyl]-2-[(2-hydroxy-5-methoxyphenyl)diazenyl]naphthalen-1-ol is CCNc1ccc2c(O)c(/N=N/c3cc(OC)ccc3O)ccc2c1/N=N/c1cc(S(=O)(=O)CC)ccc1OC.
What is the InChIKey of 6-(ethylamino)-5-[(5-ethylsulfonyl-2-methoxyphenyl)diazenyl]-2-[(2-hydroxy-5-methoxyphenyl)diazenyl]naphthalen-1-ol?
The InChIKey is MAZKPSWYVJUTJP-CJQWSLHQSA-N. The full InChI is InChI=1S/C28H29N5O6S/c1-5-29-21-11-10-20-19(9-12-22(28(20)35)30-31-23-15-17(38-3)7-13-25(23)34)27(21)33-32-24-16-18(40(36,37)6-2)8-14-26(24)39-4/h7-16,29,34-35H,5-6H2,1-4H3/b31-30+,33-32+.
What are the key properties of 6-(ethylamino)-5-[(5-ethylsulfonyl-2-methoxyphenyl)diazenyl]-2-[(2-hydroxy-5-methoxyphenyl)diazenyl]naphthalen-1-ol?
6-(ethylamino)-5-[(5-ethylsulfonyl-2-methoxyphenyl)diazenyl]-2-[(2-hydroxy-5-methoxyphenyl)diazenyl]naphthalen-1-ol has a molecular weight of 563.64 g/mol, XLogP of 7.32, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-5-[(5-ethylsulfonyl-2-methoxyphenyl)diazenyl]-2-[(2-hydroxy-5-methoxyphenyl)diazenyl]naphthalen-1-ol is sourced from PubChem (CID 136985405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).