4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide

C18H18Cl2N2O3S — CID 7516998

IUPAC4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C18H18Cl2N2O3S/c1-12-4-6-14(19)11-16(12)21-18(23)13-5-7-15(20)17(10-13)22-8-2-3-9-26(22,24)25/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,23)
InChIKeyNFTCNJRUGQHODC-UHFFFAOYSA-N
MW413.33 g/mol
LogP4.48
Rot. Bonds3

About 4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide

4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide (PubChem CID 7516998) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
PubChem CID7516998
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC Name4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C18H18Cl2N2O3S/c1-12-4-6-14(19)11-16(12)21-18(23)13-5-7-15(20)17(10-13)22-8-2-3-9-26(22,24)25/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,23)
InChIKeyNFTCNJRUGQHODC-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

N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
CID 7499082
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-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide
CID 7686148
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide
CID 110618019
4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide
CID 112505577
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-pentylbenzamide
CID 110295560
N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7517052
N-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 110618406
N-(5-chloro-2-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044656
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide
CID 112505881

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide (CID 7516998) is 4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1.
What is the InChIKey of 4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
The InChIKey is NFTCNJRUGQHODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c1-12-4-6-14(19)11-16(12)21-18(23)13-5-7-15(20)17(10-13)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 4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide 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 4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide is sourced from PubChem (CID 7516998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).