(NE)-N-[benzyl(methyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide

C15H17NO2S2 — CID 15519326

IUPAC(NE)-N-[benzyl(methyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=S(\C)Cc2ccccc2)cc1
InChIInChI=1S/C15H17NO2S2/c1-13-8-10-15(11-9-13)20(17,18)16-19(2)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyVAFMMHKDKOKHHL-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.32
Rot. Bonds4

About (NE)-N-[benzyl(methyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide

(NE)-N-[benzyl(methyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide (PubChem CID 15519326) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (NE)-N-[benzyl(methyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[benzyl(methyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide
PubChem CID15519326
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Name(NE)-N-[benzyl(methyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=S(\C)Cc2ccccc2)cc1
InChIInChI=1S/C15H17NO2S2/c1-13-8-10-15(11-9-13)20(17,18)16-19(2)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyVAFMMHKDKOKHHL-UHFFFAOYSA-N
XLogP3.32
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

P-Toluenesulfonamide
CID 6269
(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
4-Phenylbenzene-1-sulfonamide
CID 5017140
4-Butylbenzenesulfonamide
CID 2054776
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
S-Methyl 4-methylbenzenesulfonothioate
CID 78672
4-Ethylbenzenesulfonamide
CID 222870
4-Propylbenzenesulfonamide
CID 2265561

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[benzyl(methyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-[benzyl(methyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide (CID 15519326) is (NE)-N-[benzyl(methyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[benzyl(methyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[benzyl(methyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=S(\C)Cc2ccccc2)cc1.
What is the InChIKey of (NE)-N-[benzyl(methyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide?
The InChIKey is VAFMMHKDKOKHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-13-8-10-15(11-9-13)20(17,18)16-19(2)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of (NE)-N-[benzyl(methyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide?
(NE)-N-[benzyl(methyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide has a molecular weight of 307.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[benzyl(methyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 15519326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).