4-chloro-3-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylbenzamide

C13H17ClN2O3S — CID 63162774

IUPAC4-chloro-3-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C13H17ClN2O3S/c1-16(2)13(17)9-3-4-11(14)12(7-9)15-10-5-6-20(18,19)8-10/h3-4,7,10,15H,5-6,8H2,1-2H3
InChIKeyFLFGUARXQFFBHS-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.64
Rot. Bonds3

About 4-chloro-3-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylbenzamide

4-chloro-3-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylbenzamide (PubChem CID 63162774) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 4-chloro-3-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylbenzamide
PubChem CID63162774
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name4-chloro-3-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C13H17ClN2O3S/c1-16(2)13(17)9-3-4-11(14)12(7-9)15-10-5-6-20(18,19)8-10/h3-4,7,10,15H,5-6,8H2,1-2H3
InChIKeyFLFGUARXQFFBHS-UHFFFAOYSA-N
XLogP1.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide
CID 43738737
6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78956287
methyl 3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzoate
CID 60708633
1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine
CID 43126505
3-[(2-bromo-3-methylbutanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 43696142
2-chloro-4-N-(1,1-dioxothiolan-3-yl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54867399
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 79011608
4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide
CID 102566657
3-(but-2-enoylamino)-4-chloro-N,N-dimethylbenzamide
CID 112727335
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
3-[(1,1-dioxothiolan-3-yl)amino]-4-nitrobenzoic acid
CID 82784084
4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 51957227

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-3-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylbenzamide (CID 63162774) is 4-chloro-3-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-3-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-3-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)c(NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of 4-chloro-3-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylbenzamide?
The InChIKey is FLFGUARXQFFBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-16(2)13(17)9-3-4-11(14)12(7-9)15-10-5-6-20(18,19)8-10/h3-4,7,10,15H,5-6,8H2,1-2H3.
What are the key properties of 4-chloro-3-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylbenzamide?
4-chloro-3-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylbenzamide has a molecular weight of 316.81 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 63162774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).