N-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide

C18H18ClNO3S — CID 5084050

IUPACN-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESCc1c(Cl)cccc1N(C(=O)c1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H18ClNO3S/c1-13-16(19)8-5-9-17(13)20(15-10-11-24(22,23)12-15)18(21)14-6-3-2-4-7-14/h2-9,15H,10-12H2,1H3
InChIKeyZAEUDZZONLBZHW-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.48
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide

N-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide (PubChem CID 5084050) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide
PubChem CID5084050
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC NameN-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESCc1c(Cl)cccc1N(C(=O)c1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H18ClNO3S/c1-13-16(19)8-5-9-17(13)20(15-10-11-24(22,23)12-15)18(21)14-6-3-2-4-7-14/h2-9,15H,10-12H2,1H3
InChIKeyZAEUDZZONLBZHW-UHFFFAOYSA-N
XLogP3.48
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7116277
N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7115982
4-chloro-N-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 102566612
2,2,2-trichloro-N-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 21179828
4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(4-methylphenyl)benzamide
CID 21179672
2,2,2-trichloro-N-(2,3-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 21179831
3-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113127560
N-(1,1-dioxothiolan-3-yl)-N'-ethylbenzohydrazide
CID 102566727
N-[(4-chlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7588591
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7198186
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
3-(3-chloro-2-methylphenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methylthiourea
CID 9053108

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide (CID 5084050) is N-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide is Cc1c(Cl)cccc1N(C(=O)c1ccccc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide?
The InChIKey is ZAEUDZZONLBZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c1-13-16(19)8-5-9-17(13)20(15-10-11-24(22,23)12-15)18(21)14-6-3-2-4-7-14/h2-9,15H,10-12H2,1H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide?
N-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide has a molecular weight of 363.87 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide is sourced from PubChem (CID 5084050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).