1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide

C20H20N2O4S2 — CID 23387080

IUPAC1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H20N2O4S2/c1-15-7-11-17(12-8-15)21-27(23,24)19-5-3-4-6-20(19)28(25,26)22-18-13-9-16(2)10-14-18/h3-14,21-22H,1-2H3
InChIKeyWCDPLMLTGDTPLO-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.91
Rot. Bonds6

About 1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide

1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide (PubChem CID 23387080) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide.

Molecular Properties

Compound Name1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
PubChem CID23387080
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H20N2O4S2/c1-15-7-11-17(12-8-15)21-27(23,24)19-5-3-4-6-20(19)28(25,26)22-18-13-9-16(2)10-14-18/h3-14,21-22H,1-2H3
InChIKeyWCDPLMLTGDTPLO-UHFFFAOYSA-N
XLogP3.91
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide
CID 10580102
2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 22483846
2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 22483839
2-methyl-N-(4-methylphenyl)-3-nitrobenzenesulfonamide
CID 38771912
N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
CID 58646057
N-(4-tert-butylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 55532477
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
CID 17247694
N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 86920060
2-hydroxy-4-methyl-N-phenylbenzenesulfonamide
CID 173356701

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide?
The IUPAC name of 1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide (CID 23387080) is 1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide.
What is the SMILES notation for 1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide?
The canonical SMILES for 1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide is Cc1ccc(NS(=O)(=O)c2ccccc2S(=O)(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide?
The InChIKey is WCDPLMLTGDTPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-15-7-11-17(12-8-15)21-27(23,24)19-5-3-4-6-20(19)28(25,26)22-18-13-9-16(2)10-14-18/h3-14,21-22H,1-2H3.
What are the key properties of 1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide?
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide has a molecular weight of 416.52 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide is sourced from PubChem (CID 23387080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).