2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide

C13H16ClFN2O3S — CID 110720919

IUPAC2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide
SMILESO=C(NCCN1CCCCS1(=O)=O)c1c(F)cccc1Cl
InChIInChI=1S/C13H16ClFN2O3S/c14-10-4-3-5-11(15)12(10)13(18)16-6-8-17-7-1-2-9-21(17,19)20/h3-5H,1-2,6-9H2,(H,16,18)
InChIKeyHRLTZCPBQSPUSD-UHFFFAOYSA-N
MW334.80 g/mol
LogP1.63
Rot. Bonds4

About 2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide

2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide (PubChem CID 110720919) has the molecular formula C13H16ClFN2O3S and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide
PubChem CID110720919
Molecular FormulaC13H16ClFN2O3S
Molecular Weight334.80 g/mol
Exact Mass334.06
IUPAC Name2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide
SMILESO=C(NCCN1CCCCS1(=O)=O)c1c(F)cccc1Cl
InChIInChI=1S/C13H16ClFN2O3S/c14-10-4-3-5-11(15)12(10)13(18)16-6-8-17-7-1-2-9-21(17,19)20/h3-5H,1-2,6-9H2,(H,16,18)
InChIKeyHRLTZCPBQSPUSD-UHFFFAOYSA-N
XLogP1.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide
CID 110720894
7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 49067816
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide
CID 60616296
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110720940
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide
CID 7483310
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide
CID 110720873
N-(5-bromopentyl)-2-chloro-6-fluorobenzamide
CID 107321928
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 49066048
8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid
CID 10663193

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide (CID 110720919) is 2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide is O=C(NCCN1CCCCS1(=O)=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide?
The InChIKey is HRLTZCPBQSPUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O3S/c14-10-4-3-5-11(15)12(10)13(18)16-6-8-17-7-1-2-9-21(17,19)20/h3-5H,1-2,6-9H2,(H,16,18).
What are the key properties of 2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide?
2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide has a molecular weight of 334.80 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 110720919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).