5-fluoro-2-methoxy-N,N-dimethylbenzenesulfinamide

C9H12FNO2S — CID 143919772

IUPAC5-fluoro-2-methoxy-N,N-dimethylbenzenesulfinamide
SMILESCOc1ccc(F)cc1S(=O)N(C)C
InChIInChI=1S/C9H12FNO2S/c1-11(2)14(12)9-6-7(10)4-5-8(9)13-3/h4-6H,1-3H3
InChIKeySQIJXLZORSBBLB-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.42
Rot. Bonds3

About 5-fluoro-2-methoxy-N,N-dimethylbenzenesulfinamide

5-fluoro-2-methoxy-N,N-dimethylbenzenesulfinamide (PubChem CID 143919772) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N,N-dimethylbenzenesulfinamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N,N-dimethylbenzenesulfinamide
PubChem CID143919772
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC Name5-fluoro-2-methoxy-N,N-dimethylbenzenesulfinamide
SMILESCOc1ccc(F)cc1S(=O)N(C)C
InChIInChI=1S/C9H12FNO2S/c1-11(2)14(12)9-6-7(10)4-5-8(9)13-3/h4-6H,1-3H3
InChIKeySQIJXLZORSBBLB-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-methoxybenzenesulfinic acid
CID 129211704
N,N-bis[bis(5-fluoro-2-methoxyphenyl)phosphanyl]methanamine
CID 101168361
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]ethanethiol
CID 115224056
(5-fluoro-2-methoxyphenyl)borane
CID 3475822
(5-fluoro-2-methoxyphenyl)phosphane
CID 158974497
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914588
methyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128471
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde
CID 115223032
CID 89353221
CID 89353221
(5-fluoro-2-methoxyphenyl)-methylboranuide
CID 137328687

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N,N-dimethylbenzenesulfinamide?
The IUPAC name of 5-fluoro-2-methoxy-N,N-dimethylbenzenesulfinamide (CID 143919772) is 5-fluoro-2-methoxy-N,N-dimethylbenzenesulfinamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N,N-dimethylbenzenesulfinamide?
The canonical SMILES for 5-fluoro-2-methoxy-N,N-dimethylbenzenesulfinamide is COc1ccc(F)cc1S(=O)N(C)C.
What is the InChIKey of 5-fluoro-2-methoxy-N,N-dimethylbenzenesulfinamide?
The InChIKey is SQIJXLZORSBBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-11(2)14(12)9-6-7(10)4-5-8(9)13-3/h4-6H,1-3H3.
What are the key properties of 5-fluoro-2-methoxy-N,N-dimethylbenzenesulfinamide?
5-fluoro-2-methoxy-N,N-dimethylbenzenesulfinamide has a molecular weight of 217.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N,N-dimethylbenzenesulfinamide is sourced from PubChem (CID 143919772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).