4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide

C16H20N2O4S2 — CID 26951667

IUPAC4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H20N2O4S2/c1-4-18(14-8-6-5-7-9-14)24(21,22)16-12-10-15(11-13-16)23(19,20)17(2)3/h5-13H,4H2,1-3H3
InChIKeyUYPRFBXXMIAVRI-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.15
Rot. Bonds6

About 4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide

4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide (PubChem CID 26951667) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
PubChem CID26951667
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H20N2O4S2/c1-4-18(14-8-6-5-7-9-14)24(21,22)16-12-10-15(11-13-16)23(19,20)17(2)3/h5-13H,4H2,1-3H3
InChIKeyUYPRFBXXMIAVRI-UHFFFAOYSA-N
XLogP2.15
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-nitro-N-phenylbenzenesulfonamide
CID 779735
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
N-ethyl-6-oxo-N-phenyl-1H-pyridine-3-sulfonamide
CID 829830
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 16532328
N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide
CID 9107044
N-ethoxy-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17481468
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
CID 100820451
N-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide
CID 96566606
4-[(2-cyanophenyl)methoxy]-N-ethyl-N-phenylbenzenesulfonamide
CID 2536387

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide?
The IUPAC name of 4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide (CID 26951667) is 4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide?
The canonical SMILES for 4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide?
The InChIKey is UYPRFBXXMIAVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-4-18(14-8-6-5-7-9-14)24(21,22)16-12-10-15(11-13-16)23(19,20)17(2)3/h5-13H,4H2,1-3H3.
What are the key properties of 4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide?
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide has a molecular weight of 368.48 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide is sourced from PubChem (CID 26951667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).