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

C18H19ClN2O3S — CID 112505577

IUPAC4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1N1CCCCS1(=O)=O
InChIInChI=1S/C18H19ClN2O3S/c1-13-4-9-16(20-18(22)14-5-7-15(19)8-6-14)12-17(13)21-10-2-3-11-25(21,23)24/h4-9,12H,2-3,10-11H2,1H3,(H,20,22)
InChIKeyZPEOLFVAFYKWRX-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.83
Rot. Bonds3

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

4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide (PubChem CID 112505577) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide
PubChem CID112505577
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1N1CCCCS1(=O)=O
InChIInChI=1S/C18H19ClN2O3S/c1-13-4-9-16(20-18(22)14-5-7-15(19)8-6-14)12-17(13)21-10-2-3-11-25(21,23)24/h4-9,12H,2-3,10-11H2,1H3,(H,20,22)
InChIKeyZPEOLFVAFYKWRX-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

N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7517052
N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide
CID 112505554
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7517012
4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516998
3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-(3-nitrophenyl)benzamide
CID 7686360
N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
CID 7499082
N-(3,4-difluorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685666
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]thiophene-2-carboxamide
CID 71683874
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide
CID 112505754
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 7483299
N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246208
N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
CID 7658997

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide (CID 112505577) is 4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1N1CCCCS1(=O)=O.
What is the InChIKey of 4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide?
The InChIKey is ZPEOLFVAFYKWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-13-4-9-16(20-18(22)14-5-7-15(19)8-6-14)12-17(13)21-10-2-3-11-25(21,23)24/h4-9,12H,2-3,10-11H2,1H3,(H,20,22).
What are the key properties of 4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide?
4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide 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 4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide is sourced from PubChem (CID 112505577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).