2-N,7-N-bis(4-hydroxyphenyl)-9-oxo-10H-anthracene-2,7-disulfonamide

C26H20N2O7S2 — CID 140937933

IUPAC2-N,7-N-bis(4-hydroxyphenyl)-9-oxo-10H-anthracene-2,7-disulfonamide
SMILESO=C1c2cc(S(=O)(=O)Nc3ccc(O)cc3)ccc2Cc2ccc(S(=O)(=O)Nc3ccc(O)cc3)cc21
InChIInChI=1S/C26H20N2O7S2/c29-20-7-3-18(4-8-20)27-36(32,33)22-11-1-16-13-17-2-12-23(15-25(17)26(31)24(16)14-22)37(34,35)28-19-5-9-21(30)10-6-19/h1-12,14-15,27-30H,13H2
InChIKeyVAAUPHGZEJKCDS-UHFFFAOYSA-N
MW536.59 g/mol
LogP3.83
Rot. Bonds6

About 2-N,7-N-bis(4-hydroxyphenyl)-9-oxo-10H-anthracene-2,7-disulfonamide

2-N,7-N-bis(4-hydroxyphenyl)-9-oxo-10H-anthracene-2,7-disulfonamide (PubChem CID 140937933) has the molecular formula C26H20N2O7S2 and a molecular weight of 536.59 g/mol. Its IUPAC name is 2-N,7-N-bis(4-hydroxyphenyl)-9-oxo-10H-anthracene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-bis(4-hydroxyphenyl)-9-oxo-10H-anthracene-2,7-disulfonamide
PubChem CID140937933
Molecular FormulaC26H20N2O7S2
Molecular Weight536.59 g/mol
Exact Mass536.07
IUPAC Name2-N,7-N-bis(4-hydroxyphenyl)-9-oxo-10H-anthracene-2,7-disulfonamide
SMILESO=C1c2cc(S(=O)(=O)Nc3ccc(O)cc3)ccc2Cc2ccc(S(=O)(=O)Nc3ccc(O)cc3)cc21
InChIInChI=1S/C26H20N2O7S2/c29-20-7-3-18(4-8-20)27-36(32,33)22-11-1-16-13-17-2-12-23(15-25(17)26(31)24(16)14-22)37(34,35)28-19-5-9-21(30)10-6-19/h1-12,14-15,27-30H,13H2
InChIKeyVAAUPHGZEJKCDS-UHFFFAOYSA-N
XLogP3.83
TPSA149.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.59
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-N,7-N-bis(4-bromophenyl)-9H-fluorene-2,7-disulfonamide
CID 3112211
4-chloro-N-(4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 697402
N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide
CID 129257793
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
CID 875203
2-carboxy-4-[(4-hydroxyphenyl)sulfamoyl]phenolate
CID 54677693
2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide
CID 10075434
10-oxo-9H-anthracene-2,6-disulfonic acid
CID 169091723
N-[4-[(4-hydroxyphenyl)sulfamoyl]-2-sulfanylphenyl]acetamide
CID 166176655
N-(9H-fluoren-3-yl)-4-fluorobenzenesulfonamide
CID 25331334
N-(9H-fluoren-2-yl)-4-fluorobenzenesulfonamide
CID 3457816
N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
CID 53324532

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(4-hydroxyphenyl)-9-oxo-10H-anthracene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-bis(4-hydroxyphenyl)-9-oxo-10H-anthracene-2,7-disulfonamide (CID 140937933) is 2-N,7-N-bis(4-hydroxyphenyl)-9-oxo-10H-anthracene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-bis(4-hydroxyphenyl)-9-oxo-10H-anthracene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-bis(4-hydroxyphenyl)-9-oxo-10H-anthracene-2,7-disulfonamide is O=C1c2cc(S(=O)(=O)Nc3ccc(O)cc3)ccc2Cc2ccc(S(=O)(=O)Nc3ccc(O)cc3)cc21.
What is the InChIKey of 2-N,7-N-bis(4-hydroxyphenyl)-9-oxo-10H-anthracene-2,7-disulfonamide?
The InChIKey is VAAUPHGZEJKCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O7S2/c29-20-7-3-18(4-8-20)27-36(32,33)22-11-1-16-13-17-2-12-23(15-25(17)26(31)24(16)14-22)37(34,35)28-19-5-9-21(30)10-6-19/h1-12,14-15,27-30H,13H2.
What are the key properties of 2-N,7-N-bis(4-hydroxyphenyl)-9-oxo-10H-anthracene-2,7-disulfonamide?
2-N,7-N-bis(4-hydroxyphenyl)-9-oxo-10H-anthracene-2,7-disulfonamide has a molecular weight of 536.59 g/mol, XLogP of 3.83, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(4-hydroxyphenyl)-9-oxo-10H-anthracene-2,7-disulfonamide is sourced from PubChem (CID 140937933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).