3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide

C16H18N2O4S2 — CID 55906600

IUPAC3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide
SMILESCc1ccc(C=CS(=O)(=O)NCc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-13-5-7-14(8-6-13)9-10-23(19,20)18-12-15-3-2-4-16(11-15)24(17,21)22/h2-11,18H,12H2,1H3,(H2,17,21,22)
InChIKeyAHGHROLVECHIRE-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.73
Rot. Bonds6

About 3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide

3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide (PubChem CID 55906600) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide
PubChem CID55906600
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide
SMILESCc1ccc(C=CS(=O)(=O)NCc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-13-5-7-14(8-6-13)9-10-23(19,20)18-12-15-3-2-4-16(11-15)24(17,21)22/h2-11,18H,12H2,1H3,(H2,17,21,22)
InChIKeyAHGHROLVECHIRE-UHFFFAOYSA-N
XLogP1.73
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 60860114
3-[(ethylsulfonylamino)methyl]benzenesulfonamide
CID 47337146
3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide
CID 55014687
(E)-2-(4-methylphenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]ethenesulfonamide
CID 117055112
3-[(pentan-3-ylamino)methyl]benzenesulfonamide
CID 54927067
1-methyl-3-[(sulfamoylamino)methyl]benzene
CID 66917095
N-(3-ethylphenyl)-2-[2-(4-methylphenyl)ethenylsulfonylamino]acetamide
CID 78785642
(E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide
CID 32940502
(E)-2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethenesulfonamide
CID 1484581
(E)-2-(4-methylphenyl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide
CID 117055130
3-[(3-sulfamoylphenyl)methylsulfamoyl]propanoic acid
CID 60859947
(E)-2-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]ethenesulfonamide
CID 90628092

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide?
The IUPAC name of 3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide (CID 55906600) is 3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide is Cc1ccc(C=CS(=O)(=O)NCc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide?
The InChIKey is AHGHROLVECHIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-13-5-7-14(8-6-13)9-10-23(19,20)18-12-15-3-2-4-16(11-15)24(17,21)22/h2-11,18H,12H2,1H3,(H2,17,21,22).
What are the key properties of 3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide?
3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide has a molecular weight of 366.46 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 55906600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).