N-(3-bromophenyl)-4-hydroxy-2-methyl-1,2-benzothiazine-3-carboxamide

C16H13BrN2O2S — CID 141335053

IUPACN-(3-bromophenyl)-4-hydroxy-2-methyl-1,2-benzothiazine-3-carboxamide
SMILESCN1Sc2ccccc2C(O)=C1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H13BrN2O2S/c1-19-14(15(20)12-7-2-3-8-13(12)22-19)16(21)18-11-6-4-5-10(17)9-11/h2-9,20H,1H3,(H,18,21)
InChIKeyUWDYSQQVAZNRGS-UHFFFAOYSA-N
MW377.26 g/mol
LogP4.27
Rot. Bonds2

About N-(3-bromophenyl)-4-hydroxy-2-methyl-1,2-benzothiazine-3-carboxamide

N-(3-bromophenyl)-4-hydroxy-2-methyl-1,2-benzothiazine-3-carboxamide (PubChem CID 141335053) has the molecular formula C16H13BrN2O2S and a molecular weight of 377.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-hydroxy-2-methyl-1,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-hydroxy-2-methyl-1,2-benzothiazine-3-carboxamide
PubChem CID141335053
Molecular FormulaC16H13BrN2O2S
Molecular Weight377.26 g/mol
Exact Mass375.99
IUPAC NameN-(3-bromophenyl)-4-hydroxy-2-methyl-1,2-benzothiazine-3-carboxamide
SMILESCN1Sc2ccccc2C(O)=C1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H13BrN2O2S/c1-19-14(15(20)12-7-2-3-8-13(12)22-19)16(21)18-11-6-4-5-10(17)9-11/h2-9,20H,1H3,(H,18,21)
InChIKeyUWDYSQQVAZNRGS-UHFFFAOYSA-N
XLogP4.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 3525242
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide
CID 23881595
4-hydroxy-2-methyl-N-[5-(nonylsulfonylmethyl)-1,2-oxazol-3-yl]-1,2-benzothiazine-3-carboxamide
CID 70411338
4-hydroxy-2-methyl-N-[5-(nonylsulfinylmethyl)-1,2-oxazol-3-yl]-1,2-benzothiazine-3-carboxamide
CID 70411204
N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 141335052
3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
CID 56851222
N-(3-bromophenyl)-3-methylthiophene-2-carboxamide
CID 3480316
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7104334
N-(3-bromophenyl)-3-phenylthiophene-2-carboxamide
CID 26719142
N-(3-bromophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide
CID 9191641
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-hydroxy-2-methyl-1,2-benzothiazine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-4-hydroxy-2-methyl-1,2-benzothiazine-3-carboxamide (CID 141335053) is N-(3-bromophenyl)-4-hydroxy-2-methyl-1,2-benzothiazine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-4-hydroxy-2-methyl-1,2-benzothiazine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-4-hydroxy-2-methyl-1,2-benzothiazine-3-carboxamide is CN1Sc2ccccc2C(O)=C1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-4-hydroxy-2-methyl-1,2-benzothiazine-3-carboxamide?
The InChIKey is UWDYSQQVAZNRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S/c1-19-14(15(20)12-7-2-3-8-13(12)22-19)16(21)18-11-6-4-5-10(17)9-11/h2-9,20H,1H3,(H,18,21).
What are the key properties of N-(3-bromophenyl)-4-hydroxy-2-methyl-1,2-benzothiazine-3-carboxamide?
N-(3-bromophenyl)-4-hydroxy-2-methyl-1,2-benzothiazine-3-carboxamide has a molecular weight of 377.26 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-hydroxy-2-methyl-1,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 141335053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).