4-methyl-N-(1-phenylethenyl)benzenesulfinamide

C15H15NOS — CID 134881500

IUPAC4-methyl-N-(1-phenylethenyl)benzenesulfinamide
SMILESC=C(NS(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C15H15NOS/c1-12-8-10-15(11-9-12)18(17)16-13(2)14-6-4-3-5-7-14/h3-11,16H,2H2,1H3
InChIKeyVHYPZCSDQKUDDA-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.28
Rot. Bonds4

About 4-methyl-N-(1-phenylethenyl)benzenesulfinamide

4-methyl-N-(1-phenylethenyl)benzenesulfinamide (PubChem CID 134881500) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-methyl-N-(1-phenylethenyl)benzenesulfinamide.

Molecular Properties

Compound Name4-methyl-N-(1-phenylethenyl)benzenesulfinamide
PubChem CID134881500
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name4-methyl-N-(1-phenylethenyl)benzenesulfinamide
SMILESC=C(NS(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C15H15NOS/c1-12-8-10-15(11-9-12)18(17)16-13(2)14-6-4-3-5-7-14/h3-11,16H,2H2,1H3
InChIKeyVHYPZCSDQKUDDA-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(aminooxysulfinylamino)ethenyl]-4-methylbenzene
CID 67564483
[(4-methylphenyl)sulfinylamino]phosphonous acid
CID 167063351
[4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone
CID 11450048
4-methyl-N-(1-phenylethenyl)benzenesulfonamide
CID 11471299
1-phenylethenylcarbamic acid
CID 70424061
methyl 2-[(4-methylphenyl)sulfinyl-(1-phenylethenyl)amino]acetate
CID 10616353
2-methoxy-N-(4-methylphenyl)sulfinylacetamide
CID 86036730
N-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide
CID 69078981
ethyl 3-methyl-2-[(S)-[(4-methylphenyl)sulfinylamino]-phenylmethyl]but-2-enoate
CID 100961679
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
benzoic acid;4-methylbenzoic acid
CID 71272637
4-methylbenzenesulfinic acid;phenylhydrazine
CID 121004211

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-phenylethenyl)benzenesulfinamide?
The IUPAC name of 4-methyl-N-(1-phenylethenyl)benzenesulfinamide (CID 134881500) is 4-methyl-N-(1-phenylethenyl)benzenesulfinamide.
What is the SMILES notation for 4-methyl-N-(1-phenylethenyl)benzenesulfinamide?
The canonical SMILES for 4-methyl-N-(1-phenylethenyl)benzenesulfinamide is C=C(NS(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 4-methyl-N-(1-phenylethenyl)benzenesulfinamide?
The InChIKey is VHYPZCSDQKUDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-12-8-10-15(11-9-12)18(17)16-13(2)14-6-4-3-5-7-14/h3-11,16H,2H2,1H3.
What are the key properties of 4-methyl-N-(1-phenylethenyl)benzenesulfinamide?
4-methyl-N-(1-phenylethenyl)benzenesulfinamide has a molecular weight of 257.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-phenylethenyl)benzenesulfinamide is sourced from PubChem (CID 134881500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).