4-(difluoromethoxy)-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide

C12H11F2N5O3S — CID 2630236

IUPAC4-(difluoromethoxy)-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide
SMILESCn1nnnc1SCC(=O)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H11F2N5O3S/c1-19-12(16-17-18-19)23-6-9(20)15-10(21)7-2-4-8(5-3-7)22-11(13)14/h2-5,11H,6H2,1H3,(H,15,20,21)
InChIKeyXGEUREONUZIMBW-UHFFFAOYSA-N
MW343.32 g/mol
LogP0.86
Rot. Bonds6

About 4-(difluoromethoxy)-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide

4-(difluoromethoxy)-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide (PubChem CID 2630236) has the molecular formula C12H11F2N5O3S and a molecular weight of 343.32 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide
PubChem CID2630236
Molecular FormulaC12H11F2N5O3S
Molecular Weight343.32 g/mol
Exact Mass343.06
IUPAC Name4-(difluoromethoxy)-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide
SMILESCn1nnnc1SCC(=O)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H11F2N5O3S/c1-19-12(16-17-18-19)23-6-9(20)15-10(21)7-2-4-8(5-3-7)22-11(13)14/h2-5,11H,6H2,1H3,(H,15,20,21)
InChIKeyXGEUREONUZIMBW-UHFFFAOYSA-N
XLogP0.86
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide (CID 2630236) is 4-(difluoromethoxy)-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide is Cn1nnnc1SCC(=O)NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide?
The InChIKey is XGEUREONUZIMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5O3S/c1-19-12(16-17-18-19)23-6-9(20)15-10(21)7-2-4-8(5-3-7)22-11(13)14/h2-5,11H,6H2,1H3,(H,15,20,21).
What are the key properties of 4-(difluoromethoxy)-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide?
4-(difluoromethoxy)-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide has a molecular weight of 343.32 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide is sourced from PubChem (CID 2630236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).