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

C17H17ClN2O3S — CID 112983803

IUPAC3-chloro-N-[4-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(NC2CCS(=O)(=O)C2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O3S/c18-13-3-1-2-12(10-13)17(21)20-15-6-4-14(5-7-15)19-16-8-9-24(22,23)11-16/h1-7,10,16,19H,8-9,11H2,(H,20,21)
InChIKeyBLHIOTUJAOYBDS-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.19
Rot. Bonds4

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

3-chloro-N-[4-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide (PubChem CID 112983803) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 3-chloro-N-[4-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide
PubChem CID112983803
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name3-chloro-N-[4-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(NC2CCS(=O)(=O)C2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O3S/c18-13-3-1-2-12(10-13)17(21)20-15-6-4-14(5-7-15)19-16-8-9-24(22,23)11-16/h1-7,10,16,19H,8-9,11H2,(H,20,21)
InChIKeyBLHIOTUJAOYBDS-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

3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193168
N-(3-chloro-4-fluorophenyl)-3-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide
CID 39354742
4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088370
3-chloro-N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]benzamide
CID 113013695
3-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 47156867
4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide
CID 102566657
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]benzamide
CID 113028611
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide
CID 113028619
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
N-(3-acetylphenyl)-4-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide
CID 42655672
N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide
CID 24704399

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide (CID 112983803) is 3-chloro-N-[4-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide is O=C(Nc1ccc(NC2CCS(=O)(=O)C2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide?
The InChIKey is BLHIOTUJAOYBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c18-13-3-1-2-12(10-13)17(21)20-15-6-4-14(5-7-15)19-16-8-9-24(22,23)11-16/h1-7,10,16,19H,8-9,11H2,(H,20,21).
What are the key properties of 3-chloro-N-[4-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide?
3-chloro-N-[4-[(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 3-chloro-N-[4-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide is sourced from PubChem (CID 112983803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).