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

C17H16Cl2N2O3S — CID 7685766

IUPAC2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(N2CCCCS2(=O)=O)cc1Cl
InChIInChI=1S/C17H16Cl2N2O3S/c18-12-4-3-5-13(10-12)20-17(22)15-7-6-14(11-16(15)19)21-8-1-2-9-25(21,23)24/h3-7,10-11H,1-2,8-9H2,(H,20,22)
InChIKeySBJUHRMSMXTUHU-UHFFFAOYSA-N
MW399.30 g/mol
LogP4.18
Rot. Bonds3

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

2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide (PubChem CID 7685766) has the molecular formula C17H16Cl2N2O3S and a molecular weight of 399.30 g/mol. Its IUPAC name is 2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
PubChem CID7685766
Molecular FormulaC17H16Cl2N2O3S
Molecular Weight399.30 g/mol
Exact Mass398.03
IUPAC Name2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(N2CCCCS2(=O)=O)cc1Cl
InChIInChI=1S/C17H16Cl2N2O3S/c18-12-4-3-5-13(10-12)20-17(22)15-7-6-14(11-16(15)19)21-8-1-2-9-25(21,23)24/h3-7,10-11H,1-2,8-9H2,(H,20,22)
InChIKeySBJUHRMSMXTUHU-UHFFFAOYSA-N
XLogP4.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide
CID 151521075
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
3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505513
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide
CID 110618017
2-chloro-4-(1,1-dioxothiazinan-2-yl)benzoyl chloride
CID 84818732
2,5-dichloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482807
2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide
CID 146628413
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-pentylbenzamide
CID 110295545
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-2-pyridinyl)benzamide
CID 7658986
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide
CID 7685760
3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482859

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide (CID 7685766) is 2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide is O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCCS2(=O)=O)cc1Cl.
What is the InChIKey of 2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
The InChIKey is SBJUHRMSMXTUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3S/c18-12-4-3-5-13(10-12)20-17(22)15-7-6-14(11-16(15)19)21-8-1-2-9-25(21,23)24/h3-7,10-11H,1-2,8-9H2,(H,20,22).
What are the key properties of 2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide has a molecular weight of 399.30 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide is sourced from PubChem (CID 7685766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).