4-chloro-N-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide

C17H14Cl3NO3S — CID 102566612

IUPAC4-chloro-N-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H14Cl3NO3S/c18-12-3-1-11(2-4-12)17(22)21(14-7-8-25(23,24)10-14)16-9-13(19)5-6-15(16)20/h1-6,9,14H,7-8,10H2
InChIKeyVLSPBTNOWYYVCA-UHFFFAOYSA-N
MW418.73 g/mol
LogP4.48
Rot. Bonds3

About 4-chloro-N-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide

4-chloro-N-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide (PubChem CID 102566612) has the molecular formula C17H14Cl3NO3S and a molecular weight of 418.73 g/mol. Its IUPAC name is 4-chloro-N-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide
PubChem CID102566612
Molecular FormulaC17H14Cl3NO3S
Molecular Weight418.73 g/mol
Exact Mass416.98
IUPAC Name4-chloro-N-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H14Cl3NO3S/c18-12-3-1-11(2-4-12)17(22)21(14-7-8-25(23,24)10-14)16-9-13(19)5-6-15(16)20/h1-6,9,14H,7-8,10H2
InChIKeyVLSPBTNOWYYVCA-UHFFFAOYSA-N
XLogP4.48
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.73
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(4-methylphenyl)benzamide
CID 21179672
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7116277
4-chloro-N-[2-[(4-chlorobenzoyl)-(1,1-dioxothiolan-3-yl)amino]ethyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 102566638
N-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 102566348
N-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 5084050
N-tert-butyl-4-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 102566622
N-(5-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 102565863
N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7116274
4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 99976210
2-[(4-chlorobenzoyl)-(1,1-dioxothiolan-3-yl)amino]-3-hydroxypropanoic acid
CID 102566085
4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(5-hydroxypentyl)benzamide
CID 102566110
4-tert-butyl-N-[(2,4-dichlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 35128857

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide (CID 102566612) is 4-chloro-N-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide is O=C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1Cl)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-chloro-N-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide?
The InChIKey is VLSPBTNOWYYVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3NO3S/c18-12-3-1-11(2-4-12)17(22)21(14-7-8-25(23,24)10-14)16-9-13(19)5-6-15(16)20/h1-6,9,14H,7-8,10H2.
What are the key properties of 4-chloro-N-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide?
4-chloro-N-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide has a molecular weight of 418.73 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide is sourced from PubChem (CID 102566612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).