1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide

C22H24N2O4S2 — CID 25048038

IUPAC1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccccc1CC
InChIInChI=1S/C22H24N2O4S2/c1-3-17-11-5-7-13-19(17)23-29(25,26)21-15-9-10-16-22(21)30(27,28)24-20-14-8-6-12-18(20)4-2/h5-16,23-24H,3-4H2,1-2H3
InChIKeyCHSHNDLXWGDKBA-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.41
Rot. Bonds8

About 1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide

1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide (PubChem CID 25048038) has the molecular formula C22H24N2O4S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide.

Molecular Properties

Compound Name1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
PubChem CID25048038
Molecular FormulaC22H24N2O4S2
Molecular Weight444.58 g/mol
Exact Mass444.12
IUPAC Name1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccccc1CC
InChIInChI=1S/C22H24N2O4S2/c1-3-17-11-5-7-13-19(17)23-29(25,26)21-15-9-10-16-22(21)30(27,28)24-20-14-8-6-12-18(20)4-2/h5-16,23-24H,3-4H2,1-2H3
InChIKeyCHSHNDLXWGDKBA-UHFFFAOYSA-N
XLogP4.41
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668
N-(2-ethylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144368
N-(2-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456850
2-methyl-N-(2-propylphenyl)benzenesulfonamide
CID 63000036
4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22773817
5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922893
2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide
CID 28524364
5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide
CID 107536071
N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758931
N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 107522507
N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283313
2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide
CID 103988511

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide?
The IUPAC name of 1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide (CID 25048038) is 1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide.
What is the SMILES notation for 1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide?
The canonical SMILES for 1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide is CCc1ccccc1NS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccccc1CC.
What is the InChIKey of 1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide?
The InChIKey is CHSHNDLXWGDKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S2/c1-3-17-11-5-7-13-19(17)23-29(25,26)21-15-9-10-16-22(21)30(27,28)24-20-14-8-6-12-18(20)4-2/h5-16,23-24H,3-4H2,1-2H3.
What are the key properties of 1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide?
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide has a molecular weight of 444.58 g/mol, XLogP of 4.41, 8 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(2-ethylphenyl)benzene-1,2-disulfonamide is sourced from PubChem (CID 25048038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).