1-N-[2-(diethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide

C18H25N3O4S2 — CID 156519229

IUPAC1-N-[2-(diethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
SMILESCCN(CC)c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H25N3O4S2/c1-5-21(6-2)18-10-8-7-9-17(18)19-26(22,23)15-11-13-16(14-12-15)27(24,25)20(3)4/h7-14,19H,5-6H2,1-4H3
InChIKeyYLGBIJFWLRGRFS-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.58
Rot. Bonds8

About 1-N-[2-(diethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide

1-N-[2-(diethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide (PubChem CID 156519229) has the molecular formula C18H25N3O4S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-N-[2-(diethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name1-N-[2-(diethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
PubChem CID156519229
Molecular FormulaC18H25N3O4S2
Molecular Weight411.55 g/mol
Exact Mass411.13
IUPAC Name1-N-[2-(diethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
SMILESCCN(CC)c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H25N3O4S2/c1-5-21(6-2)18-10-8-7-9-17(18)19-26(22,23)15-11-13-16(14-12-15)27(24,25)20(3)4/h7-14,19H,5-6H2,1-4H3
InChIKeyYLGBIJFWLRGRFS-UHFFFAOYSA-N
XLogP2.58
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N-dimethyl-1-N-[2-[methyl-(1-methylcyclohexyl)amino]phenyl]benzene-1,4-disulfonamide
CID 177252540
[2-(diethylamino)anilino]methanesulfonic acid
CID 23467400
3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide
CID 28795747
4-(diethylamino)-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 50767053
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
4-(diethylamino)-3-[(4-ethylphenyl)sulfonylamino]benzoic acid
CID 50766989
2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide
CID 34838079
1-N-[2-[[(3R)-1-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]-methylamino]phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 164573141
N-ethyl-N-(2-hydroxyethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 78796489
N-[4-(dimethylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 2098625
4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide
CID 165388902
3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide
CID 106759376

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(diethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
The IUPAC name of 1-N-[2-(diethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide (CID 156519229) is 1-N-[2-(diethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide.
What is the SMILES notation for 1-N-[2-(diethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
The canonical SMILES for 1-N-[2-(diethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide is CCN(CC)c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 1-N-[2-(diethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
The InChIKey is YLGBIJFWLRGRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S2/c1-5-21(6-2)18-10-8-7-9-17(18)19-26(22,23)15-11-13-16(14-12-15)27(24,25)20(3)4/h7-14,19H,5-6H2,1-4H3.
What are the key properties of 1-N-[2-(diethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
1-N-[2-(diethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide has a molecular weight of 411.55 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(diethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide is sourced from PubChem (CID 156519229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).