N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C16H14F2N2OS — CID 5082265

IUPACN-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCN1CCSc2ccc(C(=O)Nc3cc(F)ccc3F)cc21
InChIInChI=1S/C16H14F2N2OS/c1-20-6-7-22-15-5-2-10(8-14(15)20)16(21)19-13-9-11(17)3-4-12(13)18/h2-5,8-9H,6-7H2,1H3,(H,19,21)
InChIKeyVMZXNSSHBQPTHL-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.76
Rot. Bonds2

About N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 5082265) has the molecular formula C16H14F2N2OS and a molecular weight of 320.36 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID5082265
Molecular FormulaC16H14F2N2OS
Molecular Weight320.36 g/mol
Exact Mass320.08
IUPAC NameN-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCN1CCSc2ccc(C(=O)Nc3cc(F)ccc3F)cc21
InChIInChI=1S/C16H14F2N2OS/c1-20-6-7-22-15-5-2-10(8-14(15)20)16(21)19-13-9-11(17)3-4-12(13)18/h2-5,8-9H,6-7H2,1H3,(H,19,21)
InChIKeyVMZXNSSHBQPTHL-UHFFFAOYSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 5082265) is N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is CN1CCSc2ccc(C(=O)Nc3cc(F)ccc3F)cc21.
What is the InChIKey of N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is VMZXNSSHBQPTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2OS/c1-20-6-7-22-15-5-2-10(8-14(15)20)16(21)19-13-9-11(17)3-4-12(13)18/h2-5,8-9H,6-7H2,1H3,(H,19,21).
What are the key properties of N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 5082265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).