N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide

C18H18Cl2N2O3S — CID 7499082

IUPACN-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCCCS1(=O)=O
InChIInChI=1S/C18H18Cl2N2O3S/c1-12-10-13(18(23)21-16-11-14(19)5-6-15(16)20)4-7-17(12)22-8-2-3-9-26(22,24)25/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,23)
InChIKeyMUGVAGQDOPODJF-UHFFFAOYSA-N
MW413.33 g/mol
LogP4.48
Rot. Bonds3

About N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide

N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide (PubChem CID 7499082) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
PubChem CID7499082
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC NameN-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCCCS1(=O)=O
InChIInChI=1S/C18H18Cl2N2O3S/c1-12-10-13(18(23)21-16-11-14(19)5-6-15(16)20)4-7-17(12)22-8-2-3-9-26(22,24)25/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,23)
InChIKeyMUGVAGQDOPODJF-UHFFFAOYSA-N
XLogP4.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516998
4-chloro-N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516991
4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516982
4-(1,1-dioxothiazinan-2-yl)-3-methylbenzoic acid
CID 16642520
N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
CID 7658997
4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide
CID 112505577
4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 7685953
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide
CID 112505881
4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-(3-nitrophenyl)benzamide
CID 7685954
[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7685858
4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 7685921
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide
CID 110618019

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide (CID 7499082) is N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide is Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCCCS1(=O)=O.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide?
The InChIKey is MUGVAGQDOPODJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c1-12-10-13(18(23)21-16-11-14(19)5-6-15(16)20)4-7-17(12)22-8-2-3-9-26(22,24)25/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,23).
What are the key properties of N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide?
N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide has a molecular weight of 413.33 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide is sourced from PubChem (CID 7499082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).