2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide

C14H17ClN2O3S — CID 7685760

IUPAC2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl
InChIInChI=1S/C14H17ClN2O3S/c1-2-7-16-14(18)12-6-5-11(10-13(12)15)17-8-3-4-9-21(17,19)20/h2,5-6,10H,1,3-4,7-9H2,(H,16,18)
InChIKeyCIBPXROZRYNFHF-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.19
Rot. Bonds4

About 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide

2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide (PubChem CID 7685760) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide
PubChem CID7685760
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl
InChIInChI=1S/C14H17ClN2O3S/c1-2-7-16-14(18)12-6-5-11(10-13(12)15)17-8-3-4-9-21(17,19)20/h2,5-6,10H,1,3-4,7-9H2,(H,16,18)
InChIKeyCIBPXROZRYNFHF-UHFFFAOYSA-N
XLogP2.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-pentylbenzamide
CID 110295545
2-chloro-N-(4-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685757
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide
CID 110618017
2-chloro-4-(1,1-dioxothiazinan-2-yl)benzoyl chloride
CID 84818732
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(2-propan-2-yloxyethyl)benzamide
CID 110416600
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 71706179
N-(4-carbamoylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7499041
2-chloro-N-(2-cyanopropan-2-yl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 110615002
2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685766
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]benzamide
CID 110205066
2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide
CID 21007236
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 166416532

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide?
The IUPAC name of 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide (CID 7685760) is 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide?
The canonical SMILES for 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl.
What is the InChIKey of 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide?
The InChIKey is CIBPXROZRYNFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c1-2-7-16-14(18)12-6-5-11(10-13(12)15)17-8-3-4-9-21(17,19)20/h2,5-6,10H,1,3-4,7-9H2,(H,16,18).
What are the key properties of 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide?
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide has a molecular weight of 328.82 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 7685760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).