4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide

C17H17ClN2O3S — CID 102566657

IUPAC4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide
SMILESO=C(Nc1ccccc1NC1CCS(=O)(=O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3S/c18-13-7-5-12(6-8-13)17(21)20-16-4-2-1-3-15(16)19-14-9-10-24(22,23)11-14/h1-8,14,19H,9-11H2,(H,20,21)
InChIKeyZKMZAYOUSAECFN-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.19
Rot. Bonds4

About 4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide

4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide (PubChem CID 102566657) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide
PubChem CID102566657
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide
SMILESO=C(Nc1ccccc1NC1CCS(=O)(=O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3S/c18-13-7-5-12(6-8-13)17(21)20-16-4-2-1-3-15(16)19-14-9-10-24(22,23)11-14/h1-8,14,19H,9-11H2,(H,20,21)
InChIKeyZKMZAYOUSAECFN-UHFFFAOYSA-N
XLogP3.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109260888
4-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamothioyl]benzamide
CID 42473109
4-chloro-N-[(1S)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-2-phenylethyl]benzamide
CID 31725806
3-chloro-N-[4-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide
CID 112983803
N-(4-chloro-2-iodophenyl)-1,1-dioxothiolan-3-amine
CID 107632504
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]benzamide
CID 113028611
3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide
CID 109106515
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide
CID 113042939
N-(2-chlorophenyl)-4-[(3R)-1,1-dioxothiolan-3-yl]sulfonylbenzamide
CID 42362901
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 7256191

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide (CID 102566657) is 4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide is O=C(Nc1ccccc1NC1CCS(=O)(=O)C1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide?
The InChIKey is ZKMZAYOUSAECFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c18-13-7-5-12(6-8-13)17(21)20-16-4-2-1-3-15(16)19-14-9-10-24(22,23)11-14/h1-8,14,19H,9-11H2,(H,20,21).
What are the key properties of 4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide?
4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide has a molecular weight of 364.85 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide is sourced from PubChem (CID 102566657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).