4-methyl-N-[(E)-3-phenylbut-2-enyl]sulfinylbenzenesulfonamide

C17H19NO3S2 — CID 12614365

IUPAC4-methyl-N-[(E)-3-phenylbut-2-enyl]sulfinylbenzenesulfonamide
SMILESC/C(=C\CS(=O)NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19NO3S2/c1-14-8-10-17(11-9-14)23(20,21)18-22(19)13-12-15(2)16-6-4-3-5-7-16/h3-12,18H,13H2,1-2H3/b15-12+
InChIKeyXIIKPNFGKFJKRZ-NTCAYCPXSA-N
MW349.48 g/mol
LogP3.04
Rot. Bonds6

About 4-methyl-N-[(E)-3-phenylbut-2-enyl]sulfinylbenzenesulfonamide

4-methyl-N-[(E)-3-phenylbut-2-enyl]sulfinylbenzenesulfonamide (PubChem CID 12614365) has the molecular formula C17H19NO3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-methyl-N-[(E)-3-phenylbut-2-enyl]sulfinylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-3-phenylbut-2-enyl]sulfinylbenzenesulfonamide
PubChem CID12614365
Molecular FormulaC17H19NO3S2
Molecular Weight349.48 g/mol
Exact Mass349.08
IUPAC Name4-methyl-N-[(E)-3-phenylbut-2-enyl]sulfinylbenzenesulfonamide
SMILESC/C(=C\CS(=O)NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19NO3S2/c1-14-8-10-17(11-9-14)23(20,21)18-22(19)13-12-15(2)16-6-4-3-5-7-16/h3-12,18H,13H2,1-2H3/b15-12+
InChIKeyXIIKPNFGKFJKRZ-NTCAYCPXSA-N
XLogP3.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[(E)-3-phenylbut-2-enyl]sulfinylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-(sulfinosulfamoyl)benzene
CID 57311517
N-(2-bromoprop-2-enylsulfinyl)-4-methylbenzenesulfonamide
CID 5256430
1-methyl-4-(sulfinatosulfamoyl)benzene
CID 57311516
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide
CID 101498750
2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate
CID 7164051
4-methyl-N-[methyl(propan-2-ylidene)-λ4-sulfanyl]benzenesulfonamide
CID 123730201
4-methyl-N-(1-phenylethenyl)benzenesulfonamide
CID 11471299
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-3-phenylbut-2-enyl]sulfinylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-3-phenylbut-2-enyl]sulfinylbenzenesulfonamide (CID 12614365) is 4-methyl-N-[(E)-3-phenylbut-2-enyl]sulfinylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-3-phenylbut-2-enyl]sulfinylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-3-phenylbut-2-enyl]sulfinylbenzenesulfonamide is C/C(=C\CS(=O)NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 4-methyl-N-[(E)-3-phenylbut-2-enyl]sulfinylbenzenesulfonamide?
The InChIKey is XIIKPNFGKFJKRZ-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H19NO3S2/c1-14-8-10-17(11-9-14)23(20,21)18-22(19)13-12-15(2)16-6-4-3-5-7-16/h3-12,18H,13H2,1-2H3/b15-12+.
What are the key properties of 4-methyl-N-[(E)-3-phenylbut-2-enyl]sulfinylbenzenesulfonamide?
4-methyl-N-[(E)-3-phenylbut-2-enyl]sulfinylbenzenesulfonamide has a molecular weight of 349.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-3-phenylbut-2-enyl]sulfinylbenzenesulfonamide is sourced from PubChem (CID 12614365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).