9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide

C27H23N3O5S2 — CID 1159157

IUPAC9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)Nc3ccccc3C)ccc1-2
InChIInChI=1S/C27H23N3O5S2/c1-17-7-3-5-9-25(17)29-36(32,33)19-11-13-21-22-14-12-20(16-24(22)27(28-31)23(21)15-19)37(34,35)30-26-10-6-4-8-18(26)2/h3-16,29-31H,1-2H3
InChIKeyPNWOKFNNUJWEBQ-UHFFFAOYSA-N
MW533.63 g/mol
LogP5.11
Rot. Bonds6

About 9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide

9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide (PubChem CID 1159157) has the molecular formula C27H23N3O5S2 and a molecular weight of 533.63 g/mol. Its IUPAC name is 9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide.

Molecular Properties

Compound Name9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide
PubChem CID1159157
Molecular FormulaC27H23N3O5S2
Molecular Weight533.63 g/mol
Exact Mass533.11
IUPAC Name9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)Nc3ccccc3C)ccc1-2
InChIInChI=1S/C27H23N3O5S2/c1-17-7-3-5-9-25(17)29-36(32,33)19-11-13-21-22-14-12-20(16-24(22)27(28-31)23(21)15-19)37(34,35)30-26-10-6-4-8-18(26)2/h3-16,29-31H,1-2H3
InChIKeyPNWOKFNNUJWEBQ-UHFFFAOYSA-N
XLogP5.11
TPSA124.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.63
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 988110
N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 2833501
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3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 25342365
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide
CID 70985171
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416

Frequently Asked Questions

What is the IUPAC name of 9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide?
The IUPAC name of 9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide (CID 1159157) is 9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide.
What is the SMILES notation for 9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide?
The canonical SMILES for 9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)Nc3ccccc3C)ccc1-2.
What is the InChIKey of 9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide?
The InChIKey is PNWOKFNNUJWEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O5S2/c1-17-7-3-5-9-25(17)29-36(32,33)19-11-13-21-22-14-12-20(16-24(22)27(28-31)23(21)15-19)37(34,35)30-26-10-6-4-8-18(26)2/h3-16,29-31H,1-2H3.
What are the key properties of 9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide?
9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide has a molecular weight of 533.63 g/mol, XLogP of 5.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide is sourced from PubChem (CID 1159157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).