N,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide

C18H24N2O4S2 — CID 110299331

IUPACN,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C18H24N2O4S2/c1-15(17-7-5-4-6-8-17)19-25(21,22)14-13-16-9-11-18(12-10-16)26(23,24)20(2)3/h4-12,15,19H,13-14H2,1-3H3
InChIKeyOKPHYFCAKZLFOK-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.16
Rot. Bonds8

About N,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide

N,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide (PubChem CID 110299331) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide
PubChem CID110299331
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC NameN,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C18H24N2O4S2/c1-15(17-7-5-4-6-8-17)19-25(21,22)14-13-16-9-11-18(12-10-16)26(23,24)20(2)3/h4-12,15,19H,13-14H2,1-3H3
InChIKeyOKPHYFCAKZLFOK-UHFFFAOYSA-N
XLogP2.16
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-(1-phenylethyl)propane-1-sulfonamide
CID 110755445
N,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide
CID 119129540
2-methoxy-N-(1-phenylethyl)ethanesulfonamide
CID 71683981
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 133239103
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
N,N-dimethyl-4-[2-[(4-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide
CID 110299350
4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 110907925
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948075
N,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide
CID 110299349
2-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948077
N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
CID 94195074

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide (CID 110299331) is N,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide?
The InChIKey is OKPHYFCAKZLFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-15(17-7-5-4-6-8-17)19-25(21,22)14-13-16-9-11-18(12-10-16)26(23,24)20(2)3/h4-12,15,19H,13-14H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide?
N,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110299331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).