N-(dihexyl-lambda4-sulfanylidene)-4-methylbenzenesulfonamide

C19H33NO2S2 — CID 12501609

IUPACN-(dihexyl-lambda4-sulfanylidene)-4-methylbenzenesulfonamide
SMILESCCCCCCS(CCCCCC)=NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H33NO2S2/c1-4-6-8-10-16-23(17-11-9-7-5-2)20-24(21,22)19-14-12-18(3)13-15-19/h12-15H,4-11,16-17H2,1-3H3
InChIKeyQDJTVJBNBJTWCB-UHFFFAOYSA-N
MW371.61 g/mol
LogP5.65
Rot. Bonds12

About N-(dihexyl-lambda4-sulfanylidene)-4-methylbenzenesulfonamide

N-(dihexyl-lambda4-sulfanylidene)-4-methylbenzenesulfonamide (PubChem CID 12501609) has the molecular formula C19H33NO2S2 and a molecular weight of 371.61 g/mol. Its IUPAC name is N-(dihexyl-lambda4-sulfanylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(dihexyl-lambda4-sulfanylidene)-4-methylbenzenesulfonamide
PubChem CID12501609
Molecular FormulaC19H33NO2S2
Molecular Weight371.61 g/mol
Exact Mass371.20
IUPAC NameN-(dihexyl-lambda4-sulfanylidene)-4-methylbenzenesulfonamide
SMILESCCCCCCS(CCCCCC)=NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H33NO2S2/c1-4-6-8-10-16-23(17-11-9-7-5-2)20-24(21,22)19-14-12-18(3)13-15-19/h12-15H,4-11,16-17H2,1-3H3
InChIKeyQDJTVJBNBJTWCB-UHFFFAOYSA-N
XLogP5.65
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

P-Toluenesulfonamide
CID 6269
(2E)-3-(4-methylbenzenesulfonyl)prop-2-enenitrile
CID 5353431
4-Butylbenzenesulfonamide
CID 2054776
S-Methyl 4-methylbenzenesulfonothioate
CID 78672
4-Ethylbenzenesulfonamide
CID 222870
4-Propylbenzenesulfonamide
CID 2265561
N-[bis(methylsulfanyl)methylidene]-4-methylbenzene-1-sulfonamide
CID 319370
Sulfone, allyl p-tolyl
CID 96276
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
P-Tolyl vinyl sulfone
CID 79665
1-Tert-butyl-4-(ethenesulfonyl)benzene
CID 879322
p-Tolyl methyl sulfone
CID 18521

Frequently Asked Questions

What is the IUPAC name of N-(dihexyl-lambda4-sulfanylidene)-4-methylbenzenesulfonamide?
The IUPAC name of N-(dihexyl-lambda4-sulfanylidene)-4-methylbenzenesulfonamide (CID 12501609) is N-(dihexyl-lambda4-sulfanylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(dihexyl-lambda4-sulfanylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(dihexyl-lambda4-sulfanylidene)-4-methylbenzenesulfonamide is CCCCCCS(CCCCCC)=NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(dihexyl-lambda4-sulfanylidene)-4-methylbenzenesulfonamide?
The InChIKey is QDJTVJBNBJTWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2S2/c1-4-6-8-10-16-23(17-11-9-7-5-2)20-24(21,22)19-14-12-18(3)13-15-19/h12-15H,4-11,16-17H2,1-3H3.
What are the key properties of N-(dihexyl-lambda4-sulfanylidene)-4-methylbenzenesulfonamide?
N-(dihexyl-lambda4-sulfanylidene)-4-methylbenzenesulfonamide has a molecular weight of 371.61 g/mol, XLogP of 5.65, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dihexyl-lambda4-sulfanylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 12501609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).