N'-(3,4-dichlorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide

C16H13Cl2N3O2S — CID 1211496

IUPACN'-(3,4-dichlorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide
SMILESO=C(C[C@@H]1Sc2ccccc2NC1=O)NNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2N3O2S/c17-10-6-5-9(7-11(10)18)20-21-15(22)8-14-16(23)19-12-3-1-2-4-13(12)24-14/h1-7,14,20H,8H2,(H,19,23)(H,21,22)/t14-/m0/s1
InChIKeyWDTKISIYEAVRCV-AWEZNQCLSA-N
MW382.27 g/mol
LogP3.94
Rot. Bonds4

About N'-(3,4-dichlorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide

N'-(3,4-dichlorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide (PubChem CID 1211496) has the molecular formula C16H13Cl2N3O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is N'-(3,4-dichlorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide.

Molecular Properties

Compound NameN'-(3,4-dichlorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide
PubChem CID1211496
Molecular FormulaC16H13Cl2N3O2S
Molecular Weight382.27 g/mol
Exact Mass381.01
IUPAC NameN'-(3,4-dichlorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide
SMILESO=C(C[C@@H]1Sc2ccccc2NC1=O)NNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2N3O2S/c17-10-6-5-9(7-11(10)18)20-21-15(22)8-14-16(23)19-12-3-1-2-4-13(12)24-14/h1-7,14,20H,8H2,(H,19,23)(H,21,22)/t14-/m0/s1
InChIKeyWDTKISIYEAVRCV-AWEZNQCLSA-N
XLogP3.94
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 4116869
N-(3,5-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2936875
N'-[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]propanehydrazide
CID 770317
N-(3,4-dimethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700800
1-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-3-phenylurea
CID 2820270
[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino] 2-chlorobenzoate
CID 6976517
N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2945832
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 3147420
N-(3-chloro-4-cyclopentyloxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 60574944
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2960294
N-(4-chloro-2-fluorophenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9211540

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dichlorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide?
The IUPAC name of N'-(3,4-dichlorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide (CID 1211496) is N'-(3,4-dichlorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide.
What is the SMILES notation for N'-(3,4-dichlorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide?
The canonical SMILES for N'-(3,4-dichlorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide is O=C(C[C@@H]1Sc2ccccc2NC1=O)NNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-(3,4-dichlorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide?
The InChIKey is WDTKISIYEAVRCV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S/c17-10-6-5-9(7-11(10)18)20-21-15(22)8-14-16(23)19-12-3-1-2-4-13(12)24-14/h1-7,14,20H,8H2,(H,19,23)(H,21,22)/t14-/m0/s1.
What are the key properties of N'-(3,4-dichlorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide?
N'-(3,4-dichlorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide has a molecular weight of 382.27 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dichlorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide is sourced from PubChem (CID 1211496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).