N-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine

C10H11ClFNO2S — CID 43123013

IUPACN-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(Nc2cccc(Cl)c2F)C1
InChIInChI=1S/C10H11ClFNO2S/c11-8-2-1-3-9(10(8)12)13-7-4-5-16(14,15)6-7/h1-3,7,13H,4-6H2
InChIKeyCJVUPJXKCVBDHK-UHFFFAOYSA-N
MW263.72 g/mol
LogP2.08
Rot. Bonds2

About N-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine

N-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine (PubChem CID 43123013) has the molecular formula C10H11ClFNO2S and a molecular weight of 263.72 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine
PubChem CID43123013
Molecular FormulaC10H11ClFNO2S
Molecular Weight263.72 g/mol
Exact Mass263.02
IUPAC NameN-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(Nc2cccc(Cl)c2F)C1
InChIInChI=1S/C10H11ClFNO2S/c11-8-2-1-3-9(10(8)12)13-7-4-5-16(14,15)6-7/h1-3,7,13H,4-6H2
InChIKeyCJVUPJXKCVBDHK-UHFFFAOYSA-N
XLogP2.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-1,1-dioxothian-3-amine
CID 63910258
3-chloro-N-cyclohexyl-2-fluoroaniline
CID 28968819
N-(2-chlorophenyl)-1,1-dioxothian-4-amine
CID 43511535
N-(3-chloro-2-methylphenyl)-1,1-dioxothian-4-amine
CID 43511461
N-(3-chloro-2-fluorophenyl)spiro[4.5]decan-8-amine
CID 114817211
1,1-dioxo-N-(2,4,5-trifluorophenyl)thiolan-3-amine
CID 55118632
1-(2,3-dichlorophenyl)-3-(1,1-dioxothiolan-3-yl)urea
CID 110706193
1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 7256191
1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine
CID 43126505
3-(2,3-dichloroanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 109026419
4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide
CID 102566657
N-(2-bromo-5-fluorophenyl)-1,1-dioxothiolan-3-amine
CID 107633424

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine (CID 43123013) is N-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(Nc2cccc(Cl)c2F)C1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine?
The InChIKey is CJVUPJXKCVBDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2S/c11-8-2-1-3-9(10(8)12)13-7-4-5-16(14,15)6-7/h1-3,7,13H,4-6H2.
What are the key properties of N-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine?
N-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine has a molecular weight of 263.72 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43123013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).