4-(difluoromethylsulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

C12H10F2N2O3S2 — CID 9119081

IUPAC4-(difluoromethylsulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCn1ccs/c1=N\C(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C12H10F2N2O3S2/c1-16-6-7-20-12(16)15-10(17)8-2-4-9(5-3-8)21(18,19)11(13)14/h2-7,11H,1H3/b15-12-
InChIKeyMAYFAOFMXJWQBS-QINSGFPZSA-N
MW332.35 g/mol
LogP1.82
Rot. Bonds3

About 4-(difluoromethylsulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

4-(difluoromethylsulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 9119081) has the molecular formula C12H10F2N2O3S2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID9119081
Molecular FormulaC12H10F2N2O3S2
Molecular Weight332.35 g/mol
Exact Mass332.01
IUPAC Name4-(difluoromethylsulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCn1ccs/c1=N\C(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C12H10F2N2O3S2/c1-16-6-7-20-12(16)15-10(17)8-2-4-9(5-3-8)21(18,19)11(13)14/h2-7,11H,1H3/b15-12-
InChIKeyMAYFAOFMXJWQBS-QINSGFPZSA-N
XLogP1.82
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 9119081) is 4-(difluoromethylsulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is Cn1ccs/c1=N\C(=O)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is MAYFAOFMXJWQBS-QINSGFPZSA-N. The full InChI is InChI=1S/C12H10F2N2O3S2/c1-16-6-7-20-12(16)15-10(17)8-2-4-9(5-3-8)21(18,19)11(13)14/h2-7,11H,1H3/b15-12-.
What are the key properties of 4-(difluoromethylsulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
4-(difluoromethylsulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 332.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 9119081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).