N-(3-fluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine

C14H10FNO2S — CID 134138373

IUPACN-(3-fluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine
SMILESO=S1(=O)C=Cc2cccc(Nc3cccc(F)c3)c21
InChIInChI=1S/C14H10FNO2S/c15-11-4-2-5-12(9-11)16-13-6-1-3-10-7-8-19(17,18)14(10)13/h1-9,16H
InChIKeyOLRAASVQUDMECK-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.33
Rot. Bonds2

About N-(3-fluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine

N-(3-fluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine (PubChem CID 134138373) has the molecular formula C14H10FNO2S and a molecular weight of 275.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine
PubChem CID134138373
Molecular FormulaC14H10FNO2S
Molecular Weight275.30 g/mol
Exact Mass275.04
IUPAC NameN-(3-fluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine
SMILESO=S1(=O)C=Cc2cccc(Nc3cccc(F)c3)c21
InChIInChI=1S/C14H10FNO2S/c15-11-4-2-5-12(9-11)16-13-6-1-3-10-7-8-19(17,18)14(10)13/h1-9,16H
InChIKeyOLRAASVQUDMECK-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzylsulfanyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
CID 1490936
N-(4-chlorophenyl)-1,1-dioxo-1-benzothiophen-7-amine
CID 134139708
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-7-amine
CID 134147925
N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine
CID 134157216
3-[(4-fluorobenzyl)sulfanyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
CID 1490979
N-(4-methylphenyl)-1,1-dioxo-1-benzothiophen-7-amine
CID 134135315
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-6-amine
CID 134135798
N-[3,5-bis(trifluoromethyl)phenyl]-1,1-dioxo-1-benzothiophen-7-amine
CID 134139644
1,1-dioxo-N-(2,3,4,5,6-pentafluorophenyl)-1-benzothiophen-7-amine
CID 134143009
1,1-dioxo-N-[4-(trifluoromethyl)phenyl]-1-benzothiophen-6-amine
CID 134145082
N-(3,5-dimethylphenyl)-1,1-dioxo-1-benzothiophen-7-amine
CID 134146183
1,1-dioxo-N-[4-(trifluoromethyl)phenyl]-1-benzothiophen-7-amine
CID 134147408

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The IUPAC name of N-(3-fluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine (CID 134138373) is N-(3-fluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine.
What is the SMILES notation for N-(3-fluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The canonical SMILES for N-(3-fluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine is O=S1(=O)C=Cc2cccc(Nc3cccc(F)c3)c21.
What is the InChIKey of N-(3-fluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The InChIKey is OLRAASVQUDMECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2S/c15-11-4-2-5-12(9-11)16-13-6-1-3-10-7-8-19(17,18)14(10)13/h1-9,16H.
What are the key properties of N-(3-fluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine?
N-(3-fluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine has a molecular weight of 275.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine is sourced from PubChem (CID 134138373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).