1-(2-methylphenyl)-N-(4-oxo-1,4-oxathian-4-ylidene)methanesulfonamide

C12H17NO4S2 — CID 167851376

IUPAC1-(2-methylphenyl)-N-(4-oxo-1,4-oxathian-4-ylidene)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)N=S1(=O)CCOCC1
InChIInChI=1S/C12H17NO4S2/c1-11-4-2-3-5-12(11)10-19(15,16)13-18(14)8-6-17-7-9-18/h2-5H,6-10H2,1H3
InChIKeyVJDSGXHGCQXBBH-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.32
Rot. Bonds3

About 1-(2-methylphenyl)-N-(4-oxo-1,4-oxathian-4-ylidene)methanesulfonamide

1-(2-methylphenyl)-N-(4-oxo-1,4-oxathian-4-ylidene)methanesulfonamide (PubChem CID 167851376) has the molecular formula C12H17NO4S2 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-(4-oxo-1,4-oxathian-4-ylidene)methanesulfonamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-(4-oxo-1,4-oxathian-4-ylidene)methanesulfonamide
PubChem CID167851376
Molecular FormulaC12H17NO4S2
Molecular Weight303.40 g/mol
Exact Mass303.06
IUPAC Name1-(2-methylphenyl)-N-(4-oxo-1,4-oxathian-4-ylidene)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)N=S1(=O)CCOCC1
InChIInChI=1S/C12H17NO4S2/c1-11-4-2-3-5-12(11)10-19(15,16)13-18(14)8-6-17-7-9-18/h2-5H,6-10H2,1H3
InChIKeyVJDSGXHGCQXBBH-UHFFFAOYSA-N
XLogP1.32
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-(4-oxo-1,4-oxathian-4-ylidene)methanesulfonamide?
The IUPAC name of 1-(2-methylphenyl)-N-(4-oxo-1,4-oxathian-4-ylidene)methanesulfonamide (CID 167851376) is 1-(2-methylphenyl)-N-(4-oxo-1,4-oxathian-4-ylidene)methanesulfonamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-(4-oxo-1,4-oxathian-4-ylidene)methanesulfonamide?
The canonical SMILES for 1-(2-methylphenyl)-N-(4-oxo-1,4-oxathian-4-ylidene)methanesulfonamide is Cc1ccccc1CS(=O)(=O)N=S1(=O)CCOCC1.
What is the InChIKey of 1-(2-methylphenyl)-N-(4-oxo-1,4-oxathian-4-ylidene)methanesulfonamide?
The InChIKey is VJDSGXHGCQXBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c1-11-4-2-3-5-12(11)10-19(15,16)13-18(14)8-6-17-7-9-18/h2-5H,6-10H2,1H3.
What are the key properties of 1-(2-methylphenyl)-N-(4-oxo-1,4-oxathian-4-ylidene)methanesulfonamide?
1-(2-methylphenyl)-N-(4-oxo-1,4-oxathian-4-ylidene)methanesulfonamide has a molecular weight of 303.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-(4-oxo-1,4-oxathian-4-ylidene)methanesulfonamide is sourced from PubChem (CID 167851376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).