4-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide

C26H23N5O7S — CID 137304864

IUPAC4-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1/N=N/c1c(O)c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2ccccc12
InChIInChI=1S/C26H23N5O7S/c1-30(2)39(36,37)19-11-12-23(38-3)22(15-19)28-29-24-20-10-5-4-7-16(20)13-21(25(24)32)26(33)27-17-8-6-9-18(14-17)31(34)35/h4-15,32H,1-3H3,(H,27,33)/b29-28+
InChIKeyIKGUQIAFCFWRFN-ZQHSETAFSA-N
MW549.57 g/mol
LogP5.38
Rot. Bonds8

About 4-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide

4-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide (PubChem CID 137304864) has the molecular formula C26H23N5O7S and a molecular weight of 549.57 g/mol. Its IUPAC name is 4-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
PubChem CID137304864
Molecular FormulaC26H23N5O7S
Molecular Weight549.57 g/mol
Exact Mass549.13
IUPAC Name4-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1/N=N/c1c(O)c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2ccccc12
InChIInChI=1S/C26H23N5O7S/c1-30(2)39(36,37)19-11-12-23(38-3)22(15-19)28-29-24-20-10-5-4-7-16(20)13-21(25(24)32)26(33)27-17-8-6-9-18(14-17)31(34)35/h4-15,32H,1-3H3,(H,27,33)/b29-28+
InChIKeyIKGUQIAFCFWRFN-ZQHSETAFSA-N
XLogP5.38
TPSA163.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.57
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

3-hydroxy-4-[[2-methoxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 137304849
4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 136830288
4-[[5-(ethylcarbamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 137304865
4-[[2-(dimethylcarbamoyl)-6-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 137293468
3-hydroxy-4-[[2-methoxy-4-(methylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 137293433
3-[[3-[[2-hydroxy-3-[(3-nitrophenyl)carbamoyl]naphthalen-1-yl]diazenyl]-4-methylphenyl]sulfonylamino]benzenesulfonic acid
CID 136863286
3-hydroxy-4-[[2-methoxy-5-(propan-2-ylcarbamoyl)phenyl]diazenyl]-N-(4-nitrophenyl)naphthalene-2-carboxamide
CID 137293437
3-hydroxy-N-[3-[3-[[3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenoxy]phenyl]-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 163998747
2-[[3-[[2-hydroxy-3-[[2-methoxy-5-(2-sulfooxyethylsulfamoyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-4-methoxyphenyl]sulfonylamino]ethyl hydrogen sulfate
CID 135730728
N-(2,5-dimethoxyphenyl)-3-hydroxy-4-[[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]diazenyl]naphthalene-2-carboxamide
CID 3018846
3-chloro-6-[[3-[(3-chloro-4-methoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-2-methylbenzenesulfonic acid
CID 136855072
N-(4-acetamido-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 137119809

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide?
The IUPAC name of 4-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide (CID 137304864) is 4-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 4-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide?
The canonical SMILES for 4-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide is COc1ccc(S(=O)(=O)N(C)C)cc1/N=N/c1c(O)c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2ccccc12.
What is the InChIKey of 4-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide?
The InChIKey is IKGUQIAFCFWRFN-ZQHSETAFSA-N. The full InChI is InChI=1S/C26H23N5O7S/c1-30(2)39(36,37)19-11-12-23(38-3)22(15-19)28-29-24-20-10-5-4-7-16(20)13-21(25(24)32)26(33)27-17-8-6-9-18(14-17)31(34)35/h4-15,32H,1-3H3,(H,27,33)/b29-28+.
What are the key properties of 4-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide?
4-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide has a molecular weight of 549.57 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 137304864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).