1-(4-methylphenyl)sulfonylethenamine

C9H11NO2S — CID 57364782

IUPAC1-(4-methylphenyl)sulfonylethenamine
SMILESC=C(N)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C9H11NO2S/c1-7-3-5-9(6-4-7)13(11,12)8(2)10/h3-6H,2,10H2,1H3
InChIKeyCOKASBSEDDJJFY-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.20
Rot. Bonds2

About 1-(4-methylphenyl)sulfonylethenamine

1-(4-methylphenyl)sulfonylethenamine (PubChem CID 57364782) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylethenamine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylethenamine
PubChem CID57364782
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name1-(4-methylphenyl)sulfonylethenamine
SMILESC=C(N)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C9H11NO2S/c1-7-3-5-9(6-4-7)13(11,12)8(2)10/h3-6H,2,10H2,1H3
InChIKeyCOKASBSEDDJJFY-UHFFFAOYSA-N
XLogP1.20
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-bromoethenylsulfonyl)-4-methylbenzene
CID 13203013
1-(1-iodoethenylsulfonyl)-4-methylbenzene
CID 174930714
bis-(4-methylphenyl)sulfonylmethylidenehydrazine
CID 154263261
(4-methylphenyl)sulfonylformyl chloride
CID 12530344
1-(1-deuterioprop-1-en-2-ylsulfonyl)-4-methylbenzene
CID 16686735
ethene;bis(4-methylbenzenesulfonic acid)
CID 175141625
1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene
CID 138974047
carbamic acid;4-methylbenzenesulfonic acid
CID 172730422
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
imino-bis(4-methylphenyl)-oxo-λ6-sulfane
CID 54310635
4-methylbenzenesulfonic acid
CID 157221593
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylethenamine?
The IUPAC name of 1-(4-methylphenyl)sulfonylethenamine (CID 57364782) is 1-(4-methylphenyl)sulfonylethenamine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylethenamine?
The canonical SMILES for 1-(4-methylphenyl)sulfonylethenamine is C=C(N)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylethenamine?
The InChIKey is COKASBSEDDJJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-7-3-5-9(6-4-7)13(11,12)8(2)10/h3-6H,2,10H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonylethenamine?
1-(4-methylphenyl)sulfonylethenamine has a molecular weight of 197.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylethenamine is sourced from PubChem (CID 57364782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).