2-chloro-N-(4-chloro-3-methylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide

C17H16Cl2N2O4S — CID 118463251

IUPAC2-chloro-N-(4-chloro-3-methylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(N3CCOCS3(=O)=O)cc2Cl)ccc1Cl
InChIInChI=1S/C17H16Cl2N2O4S/c1-11-8-12(2-5-15(11)18)20-17(22)14-4-3-13(9-16(14)19)21-6-7-25-10-26(21,23)24/h2-5,8-9H,6-7,10H2,1H3,(H,20,22)
InChIKeyWFFJTPFRKWINLM-UHFFFAOYSA-N
MW415.30 g/mol
LogP3.68
Rot. Bonds3

About 2-chloro-N-(4-chloro-3-methylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide

2-chloro-N-(4-chloro-3-methylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide (PubChem CID 118463251) has the molecular formula C17H16Cl2N2O4S and a molecular weight of 415.30 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-methylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-methylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide
PubChem CID118463251
Molecular FormulaC17H16Cl2N2O4S
Molecular Weight415.30 g/mol
Exact Mass414.02
IUPAC Name2-chloro-N-(4-chloro-3-methylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(N3CCOCS3(=O)=O)cc2Cl)ccc1Cl
InChIInChI=1S/C17H16Cl2N2O4S/c1-11-8-12(2-5-15(11)18)20-17(22)14-4-3-13(9-16(14)19)21-6-7-25-10-26(21,23)24/h2-5,8-9H,6-7,10H2,1H3,(H,20,22)
InChIKeyWFFJTPFRKWINLM-UHFFFAOYSA-N
XLogP3.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-chloro-3-(4-methyl-3,4-dihydropyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide
CID 90130193
N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide
CID 90129976
2-chloro-N-[4-chloro-3-[(2-chlorobenzoyl)amino]phenyl]-4-(3,3-dihydroxy-1,3,4-oxathiazinan-4-yl)benzamide
CID 90117967
2-chloro-N-(4-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685757
N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-fluorobenzamide
CID 118463080
2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(3,3-dihydroxy-1,3,4-oxathiazinan-4-yl)benzamide
CID 90118058
4-(4-tert-butyl-3-chlorophenyl)-1,3,4-oxathiazinane 3,3-dioxide
CID 118463246
2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685766
2-chloro-N-(3,4-dimethylphenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26833655
2-chloro-N-(3,4-dimethylphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997077
N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide
CID 90129924
2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
CID 100522117

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-methylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-methylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide (CID 118463251) is 2-chloro-N-(4-chloro-3-methylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-methylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-methylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide is Cc1cc(NC(=O)c2ccc(N3CCOCS3(=O)=O)cc2Cl)ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-3-methylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide?
The InChIKey is WFFJTPFRKWINLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4S/c1-11-8-12(2-5-15(11)18)20-17(22)14-4-3-13(9-16(14)19)21-6-7-25-10-26(21,23)24/h2-5,8-9H,6-7,10H2,1H3,(H,20,22).
What are the key properties of 2-chloro-N-(4-chloro-3-methylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide?
2-chloro-N-(4-chloro-3-methylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide has a molecular weight of 415.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-methylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide is sourced from PubChem (CID 118463251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).