2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide

C29H26N2O5S2 — CID 988110

IUPAC2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)Nc4cccc(C)c4C)ccc2-3)c1C
InChIInChI=1S/C29H26N2O5S2/c1-17-7-5-9-27(19(17)3)30-37(33,34)21-11-13-23-24-14-12-22(16-26(24)29(32)25(23)15-21)38(35,36)31-28-10-6-8-18(2)20(28)4/h5-16,30-31H,1-4H3
InChIKeyNIZOXWFUPALJJG-UHFFFAOYSA-N
MW546.67 g/mol
LogP5.73
Rot. Bonds6

About 2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide

2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide (PubChem CID 988110) has the molecular formula C29H26N2O5S2 and a molecular weight of 546.67 g/mol. Its IUPAC name is 2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide
PubChem CID988110
Molecular FormulaC29H26N2O5S2
Molecular Weight546.67 g/mol
Exact Mass546.13
IUPAC Name2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)Nc4cccc(C)c4C)ccc2-3)c1C
InChIInChI=1S/C29H26N2O5S2/c1-17-7-5-9-27(19(17)3)30-37(33,34)21-11-13-23-24-14-12-22(16-26(24)29(32)25(23)15-21)38(35,36)31-28-10-6-8-18(2)20(28)4/h5-16,30-31H,1-4H3
InChIKeyNIZOXWFUPALJJG-UHFFFAOYSA-N
XLogP5.73
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide
CID 22773660
N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide
CID 26952276
N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 95234534
9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide
CID 1159157
N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide
CID 9055836
4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide
CID 43099417
N-(2,3-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide
CID 22583411
N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100621008
N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 2833501
2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide
CID 10075434
N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 79602574
N-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
CID 6459006

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide (CID 988110) is 2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide is Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)Nc4cccc(C)c4C)ccc2-3)c1C.
What is the InChIKey of 2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide?
The InChIKey is NIZOXWFUPALJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O5S2/c1-17-7-5-9-27(19(17)3)30-37(33,34)21-11-13-23-24-14-12-22(16-26(24)29(32)25(23)15-21)38(35,36)31-28-10-6-8-18(2)20(28)4/h5-16,30-31H,1-4H3.
What are the key properties of 2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide?
2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide has a molecular weight of 546.67 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide is sourced from PubChem (CID 988110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).