N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide

C18H19ClN2O3S — CID 151521075

IUPACN-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide
SMILESCc1ccc(N2CCCCS2(=O)=O)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O3S/c1-13-7-8-16(21-9-2-3-10-25(21,23)24)12-17(13)18(22)20-15-6-4-5-14(19)11-15/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22)
InChIKeyPUMPZCMMOQHKGO-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.83
Rot. Bonds3

About N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide

N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide (PubChem CID 151521075) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide
PubChem CID151521075
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC NameN-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide
SMILESCc1ccc(N2CCCCS2(=O)=O)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O3S/c1-13-7-8-16(21-9-2-3-10-25(21,23)24)12-17(13)18(22)20-15-6-4-5-14(19)11-15/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22)
InChIKeyPUMPZCMMOQHKGO-UHFFFAOYSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685766
3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505513
2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide
CID 146628413
2-bromo-N-(3-chloro-5-methylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668889
2-chloro-N-(4-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685757
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoic acid
CID 63653009
2,5-dichloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482807
4-tert-butyl-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505496
N-(4-carbamoylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7499041
2-chloro-4-(1,1-dioxothiazepan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide
CID 118463035
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide
CID 112505577

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide?
The IUPAC name of N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide (CID 151521075) is N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide is Cc1ccc(N2CCCCS2(=O)=O)cc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide?
The InChIKey is PUMPZCMMOQHKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-13-7-8-16(21-9-2-3-10-25(21,23)24)12-17(13)18(22)20-15-6-4-5-14(19)11-15/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide?
N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide has a molecular weight of 378.88 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide is sourced from PubChem (CID 151521075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).