4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide

C17H22N2O4S2 — CID 112507244

IUPAC4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CCNS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H22N2O4S2/c1-2-18-25(22,23)17-10-8-15(9-11-17)12-13-19-24(20,21)14-16-6-4-3-5-7-16/h3-11,18-19H,2,12-14H2,1H3
InChIKeyMTWAFYCWBQWQTD-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.65
Rot. Bonds9

About 4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide

4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide (PubChem CID 112507244) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide
PubChem CID112507244
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CCNS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H22N2O4S2/c1-2-18-25(22,23)17-10-8-15(9-11-17)12-13-19-24(20,21)14-16-6-4-3-5-7-16/h3-11,18-19H,2,12-14H2,1H3
InChIKeyMTWAFYCWBQWQTD-UHFFFAOYSA-N
XLogP1.65
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787220
1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide
CID 29034543
4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide
CID 160796965
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]propanamide
CID 112507167
4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide
CID 961989
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
4-hydrazinyl-N-(2-phenylethyl)benzenesulfonamide
CID 43454992
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]furan-2-carboxamide
CID 112507177
4-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 682201
acetonitrile;4-chloro-N-(2-phenylethyl)benzenesulfonamide;hydrate
CID 174293454

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide?
The IUPAC name of 4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide (CID 112507244) is 4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(CCNS(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of 4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide?
The InChIKey is MTWAFYCWBQWQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-2-18-25(22,23)17-10-8-15(9-11-17)12-13-19-24(20,21)14-16-6-4-3-5-7-16/h3-11,18-19H,2,12-14H2,1H3.
What are the key properties of 4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide?
4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 112507244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).