5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide

C16H20N2O4S2 — CID 8519772

IUPAC5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-4-13-6-9-15(10-7-13)23(19,20)18-14-8-5-12(2)16(11-14)24(21,22)17-3/h5-11,17-18H,4H2,1-3H3
InChIKeyCSVZCIGHDQKAOJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.27
Rot. Bonds6

About 5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide

5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide (PubChem CID 8519772) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
PubChem CID8519772
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-4-13-6-9-15(10-7-13)23(19,20)18-14-8-5-12(2)16(11-14)24(21,22)17-3/h5-11,17-18H,4H2,1-3H3
InChIKeyCSVZCIGHDQKAOJ-UHFFFAOYSA-N
XLogP2.27
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzene-1,4-disulfonamide
CID 18286970
5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519720
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190078
5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519759
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide
CID 29285974
5-(chloromethylsulfonylamino)-N,2-dimethylbenzenesulfonamide
CID 63664896
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide
CID 107236787
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
5-[(2-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519696
4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985145

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide (CID 8519772) is 5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)cc1.
What is the InChIKey of 5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide?
The InChIKey is CSVZCIGHDQKAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-4-13-6-9-15(10-7-13)23(19,20)18-14-8-5-12(2)16(11-14)24(21,22)17-3/h5-11,17-18H,4H2,1-3H3.
What are the key properties of 5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide?
5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide has a molecular weight of 368.48 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 8519772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).