2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide

C12H15ClN2O4S — CID 110618017

IUPAC2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide
SMILESCONC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl
InChIInChI=1S/C12H15ClN2O4S/c1-19-14-12(16)10-5-4-9(8-11(10)13)15-6-2-3-7-20(15,17)18/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)
InChIKeySLJSPEQULKNFJH-UHFFFAOYSA-N
MW318.78 g/mol
LogP1.56
Rot. Bonds3

About 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide

2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide (PubChem CID 110618017) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide.

Molecular Properties

Compound Name2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide
PubChem CID110618017
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Name2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide
SMILESCONC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl
InChIInChI=1S/C12H15ClN2O4S/c1-19-14-12(16)10-5-4-9(8-11(10)13)15-6-2-3-7-20(15,17)18/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)
InChIKeySLJSPEQULKNFJH-UHFFFAOYSA-N
XLogP1.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(1,1-dioxothiazinan-2-yl)benzoyl chloride
CID 84818732
2-chloro-N-(4-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685757
N-(4-carbamoylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7499041
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-pentylbenzamide
CID 110295545
2-chloro-N-(2-cyanopropan-2-yl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 110615002
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(2-propan-2-yloxyethyl)benzamide
CID 110416600
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide
CID 7685760
2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685766
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-2-pyridinyl)benzamide
CID 7658986
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide
CID 110618019
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 71706179
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]benzamide
CID 124850755

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide?
The IUPAC name of 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide (CID 110618017) is 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide.
What is the SMILES notation for 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide?
The canonical SMILES for 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide is CONC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl.
What is the InChIKey of 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide?
The InChIKey is SLJSPEQULKNFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/c1-19-14-12(16)10-5-4-9(8-11(10)13)15-6-2-3-7-20(15,17)18/h4-5,8H,2-3,6-7H2,1H3,(H,14,16).
What are the key properties of 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide?
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide has a molecular weight of 318.78 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide is sourced from PubChem (CID 110618017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).