4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide

C12H15ClN2O4S — CID 110618019

IUPAC4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide
SMILESCONC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C12H15ClN2O4S/c1-19-14-12(16)9-4-5-10(13)11(8-9)15-6-2-3-7-20(15,17)18/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyUCQWTDBNQRDYEK-UHFFFAOYSA-N
MW318.78 g/mol
LogP1.56
Rot. Bonds3

About 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide

4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide (PubChem CID 110618019) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide
PubChem CID110618019
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Name4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide
SMILESCONC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C12H15ClN2O4S/c1-19-14-12(16)9-4-5-10(13)11(8-9)15-6-2-3-7-20(15,17)18/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyUCQWTDBNQRDYEK-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

4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide
CID 7686148
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-pentylbenzamide
CID 110295560
4-chloro-N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516991
4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516998
2-[[4-chloro-3-(1,1-dioxothiazinan-2-yl)benzoyl]amino]ethyl-diethylazanium
CID 7686137
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide
CID 110618017
4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516982
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide
CID 71704555
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 7659014
N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
CID 7499082
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-phenylbenzamide
CID 110295565
N-(1H-benzimidazol-2-ylmethyl)-4-chloro-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 71828383

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide?
The IUPAC name of 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide (CID 110618019) is 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide.
What is the SMILES notation for 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide?
The canonical SMILES for 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide is CONC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1.
What is the InChIKey of 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide?
The InChIKey is UCQWTDBNQRDYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/c1-19-14-12(16)9-4-5-10(13)11(8-9)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 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide?
4-chloro-3-(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 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide is sourced from PubChem (CID 110618019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).