N-[ethenyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide

C16H17NO3S2 — CID 13260950

IUPACN-[ethenyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide
SMILESC=CS(=O)(=NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C16H17NO3S2/c1-4-21(18,15-9-5-13(2)6-10-15)17-22(19,20)16-11-7-14(3)8-12-16/h4-12H,1H2,2-3H3
InChIKeyZDMUUSABSQKYSF-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.66
Rot. Bonds4

About N-[ethenyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide

N-[ethenyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide (PubChem CID 13260950) has the molecular formula C16H17NO3S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[ethenyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[ethenyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide
PubChem CID13260950
Molecular FormulaC16H17NO3S2
Molecular Weight335.45 g/mol
Exact Mass335.06
IUPAC NameN-[ethenyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide
SMILESC=CS(=O)(=NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C16H17NO3S2/c1-4-21(18,15-9-5-13(2)6-10-15)17-22(19,20)16-11-7-14(3)8-12-16/h4-12H,1H2,2-3H3
InChIKeyZDMUUSABSQKYSF-UHFFFAOYSA-N
XLogP3.66
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2E)-3-(4-methylbenzenesulfonyl)prop-2-enenitrile
CID 5353431
SC-57666
CID 443373
Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
p-Tolyl sulfoxide
CID 15680
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
N-[bis(methylsulfanyl)methylidene]-4-methylbenzene-1-sulfonamide
CID 319370
S-Benzyl 4-methylbenzenesulfonothioate
CID 276623
Sulfone, allyl p-tolyl
CID 96276
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
P-Tolyl vinyl sulfone
CID 79665
Phenyl trans-Styryl Sulfone
CID 736143

Frequently Asked Questions

What is the IUPAC name of N-[ethenyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[ethenyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide (CID 13260950) is N-[ethenyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[ethenyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[ethenyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide is C=CS(=O)(=NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of N-[ethenyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide?
The InChIKey is ZDMUUSABSQKYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S2/c1-4-21(18,15-9-5-13(2)6-10-15)17-22(19,20)16-11-7-14(3)8-12-16/h4-12H,1H2,2-3H3.
What are the key properties of N-[ethenyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide?
N-[ethenyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide has a molecular weight of 335.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethenyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 13260950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).