N-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C16H13FN2O2S — CID 40616547

IUPACN-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C16H13FN2O2S/c1-9-6-11(17)3-4-12(9)19-16(21)10-2-5-14-13(7-10)18-15(20)8-22-14/h2-7H,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyHFUXXPBUWFUSJE-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.43
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 40616547) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID40616547
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC NameN-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C16H13FN2O2S/c1-9-6-11(17)3-4-12(9)19-16(21)10-2-5-14-13(7-10)18-15(20)8-22-14/h2-7H,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyHFUXXPBUWFUSJE-UHFFFAOYSA-N
XLogP3.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-2-methylphenyl)-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
CID 22551705
N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51145660
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940
N-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46798733
N-[2-(4-fluorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712714
N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 8004090
N-[4-(4-methylphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7980632
N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55753946
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 94622938
3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015182
N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 17412810

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 40616547) is N-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is Cc1cc(F)ccc1NC(=O)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is HFUXXPBUWFUSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-9-6-11(17)3-4-12(9)19-16(21)10-2-5-14-13(7-10)18-15(20)8-22-14/h2-7H,8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 40616547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).