1-(3-chloro-4-fluorophenyl)sulfinyl-3-(2-methylpropylamino)propan-2-ol

C13H19ClFNO2S — CID 115477533

IUPAC1-(3-chloro-4-fluorophenyl)sulfinyl-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(O)CS(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H19ClFNO2S/c1-9(2)6-16-7-10(17)8-19(18)11-3-4-13(15)12(14)5-11/h3-5,9-10,16-17H,6-8H2,1-2H3
InChIKeySUBYLLRIHONJFJ-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.19
Rot. Bonds7

About 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(2-methylpropylamino)propan-2-ol

1-(3-chloro-4-fluorophenyl)sulfinyl-3-(2-methylpropylamino)propan-2-ol (PubChem CID 115477533) has the molecular formula C13H19ClFNO2S and a molecular weight of 307.82 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfinyl-3-(2-methylpropylamino)propan-2-ol
PubChem CID115477533
Molecular FormulaC13H19ClFNO2S
Molecular Weight307.82 g/mol
Exact Mass307.08
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfinyl-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(O)CS(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H19ClFNO2S/c1-9(2)6-16-7-10(17)8-19(18)11-3-4-13(15)12(14)5-11/h3-5,9-10,16-17H,6-8H2,1-2H3
InChIKeySUBYLLRIHONJFJ-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfinyl-3-(propylamino)propan-2-ol
CID 115477531
ethyl 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methylpropanoate
CID 113318090
2-chloro-4-(2,2-diethoxyethylsulfinyl)-1-fluorobenzene
CID 115477393
1-(4-chlorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol
CID 113318003
methyl 2-acetamido-3-(3-chloro-4-fluorophenyl)sulfinylpropanoate
CID 115477184
1-(4-fluorophenyl)sulfinyl-3-(propylamino)propan-2-ol
CID 113318017
1-[(2-chlorophenyl)methylsulfinyl]-3-(2-methylpropylamino)propan-2-ol
CID 103291640
1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylamino)propan-2-ol
CID 115476603
2-chloro-1-fluoro-4-methylsulfinylbenzene
CID 130622435
2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine
CID 115477299
ethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate
CID 115477193
1-(4-fluorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol
CID 113318016

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(2-methylpropylamino)propan-2-ol (CID 115477533) is 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(2-methylpropylamino)propan-2-ol is CC(C)CNCC(O)CS(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is SUBYLLRIHONJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO2S/c1-9(2)6-16-7-10(17)8-19(18)11-3-4-13(15)12(14)5-11/h3-5,9-10,16-17H,6-8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(2-methylpropylamino)propan-2-ol?
1-(3-chloro-4-fluorophenyl)sulfinyl-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 307.82 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 115477533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).