4-chloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide

C15H9ClN2O2S — CID 738863

IUPAC4-chloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide
SMILESO=C(Nc1nc(=O)c2ccccc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClN2O2S/c16-10-7-5-9(6-8-10)13(19)17-15-18-14(20)11-3-1-2-4-12(11)21-15/h1-8H,(H,17,18,19,20)
InChIKeyCQASXSIEHUPIOS-UHFFFAOYSA-N
MW316.77 g/mol
LogP3.56
Rot. Bonds2

About 4-chloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide

4-chloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide (PubChem CID 738863) has the molecular formula C15H9ClN2O2S and a molecular weight of 316.77 g/mol. Its IUPAC name is 4-chloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide
PubChem CID738863
Molecular FormulaC15H9ClN2O2S
Molecular Weight316.77 g/mol
Exact Mass316.01
IUPAC Name4-chloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide
SMILESO=C(Nc1nc(=O)c2ccccc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClN2O2S/c16-10-7-5-9(6-8-10)13(19)17-15-18-14(20)11-3-1-2-4-12(11)21-15/h1-8H,(H,17,18,19,20)
InChIKeyCQASXSIEHUPIOS-UHFFFAOYSA-N
XLogP3.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, 4-chloro-N-(4,5-dihydro-2-thiazolyl)-
CID 924611
N-(4-oxo-1,3-benzothiazin-2-yl)acetamide
CID 646071
N-(4-oxo-1,3-benzothiazin-2-yl)benzamide
CID 658982
4-Fluoro-N-(4-oxo-3,4-dihydro-benzo[e][1,3]thiazin-2-ylidene)-benzamide
CID 738864
N-[(2Z)-4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene]-2-phenylacetamide
CID 899391
methyl N,N'-bis(4-chlorobenzoyl)carbamimidothioate
CID 44443238
6-Chloro-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazin-4-one
CID 134131195
3-[[2-[(4-chlorophenyl)methylsulfanyl]-6-oxo-1H-1,3,5-triazin-4-yl]sulfanylmethyl]benzamide
CID 155537116
2-(methylsulfanyl)-N-(4-oxo-4H-1,3-benzothiazin-2-yl)benzamide
CID 942114
3,4-dichloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide
CID 1212711
N-[(E)-amino{[(2E)-4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene]amino}methylidene]-3,4-dichlorobenzamide
CID 9586624
(NZ)-4-chloro-N-[methylsulfanyl(propylamino)methylene]benzamide
CID 377039

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide (CID 738863) is 4-chloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide is O=C(Nc1nc(=O)c2ccccc2s1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide?
The InChIKey is CQASXSIEHUPIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O2S/c16-10-7-5-9(6-8-10)13(19)17-15-18-14(20)11-3-1-2-4-12(11)21-15/h1-8H,(H,17,18,19,20).
What are the key properties of 4-chloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide?
4-chloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide has a molecular weight of 316.77 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide is sourced from PubChem (CID 738863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).