4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide

C14H19ClN2O3S — CID 7686148

IUPAC4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C14H19ClN2O3S/c1-2-7-16-14(18)11-5-6-12(15)13(10-11)17-8-3-4-9-21(17,19)20/h5-6,10H,2-4,7-9H2,1H3,(H,16,18)
InChIKeyVRFKZGVPLXXRRI-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.41
Rot. Bonds4

About 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide

4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide (PubChem CID 7686148) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide
PubChem CID7686148
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C14H19ClN2O3S/c1-2-7-16-14(18)11-5-6-12(15)13(10-11)17-8-3-4-9-21(17,19)20/h5-6,10H,2-4,7-9H2,1H3,(H,16,18)
InChIKeyVRFKZGVPLXXRRI-UHFFFAOYSA-N
XLogP2.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-pentylbenzamide
CID 110295560
2-[[4-chloro-3-(1,1-dioxothiazinan-2-yl)benzoyl]amino]ethyl-diethylazanium
CID 7686137
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide
CID 110618019
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 71827935
4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516998
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 7659014
4-chloro-N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516991
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-phenylbenzamide
CID 110295565
N-(1H-benzimidazol-2-ylmethyl)-4-chloro-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 71828383
4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516982
3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 7686230
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide
CID 71704555

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide?
The IUPAC name of 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide (CID 7686148) is 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide.
What is the SMILES notation for 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide?
The canonical SMILES for 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide is CCCNC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1.
What is the InChIKey of 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide?
The InChIKey is VRFKZGVPLXXRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-2-7-16-14(18)11-5-6-12(15)13(10-11)17-8-3-4-9-21(17,19)20/h5-6,10H,2-4,7-9H2,1H3,(H,16,18).
What are the key properties of 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide?
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide has a molecular weight of 330.84 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide is sourced from PubChem (CID 7686148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).