3-chloro-5-fluoro-2-hydroxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]benzamide

C11H13ClFNO3S — CID 97241880

IUPAC3-chloro-5-fluoro-2-hydroxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]benzamide
SMILESC[C@@H](CNC(=O)c1cc(F)cc(Cl)c1O)[S@](C)=O
InChIInChI=1S/C11H13ClFNO3S/c1-6(18(2)17)5-14-11(16)8-3-7(13)4-9(12)10(8)15/h3-4,6,15H,5H2,1-2H3,(H,14,16)/t6-,18-/m0/s1
InChIKeyAHPKQHFJOIOGIQ-QQOXFEPMSA-N
MW293.75 g/mol
LogP1.68
Rot. Bonds4

About 3-chloro-5-fluoro-2-hydroxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]benzamide

3-chloro-5-fluoro-2-hydroxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]benzamide (PubChem CID 97241880) has the molecular formula C11H13ClFNO3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-chloro-5-fluoro-2-hydroxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-2-hydroxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]benzamide
PubChem CID97241880
Molecular FormulaC11H13ClFNO3S
Molecular Weight293.75 g/mol
Exact Mass293.03
IUPAC Name3-chloro-5-fluoro-2-hydroxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]benzamide
SMILESC[C@@H](CNC(=O)c1cc(F)cc(Cl)c1O)[S@](C)=O
InChIInChI=1S/C11H13ClFNO3S/c1-6(18(2)17)5-14-11(16)8-3-7(13)4-9(12)10(8)15/h3-4,6,15H,5H2,1-2H3,(H,14,16)/t6-,18-/m0/s1
InChIKeyAHPKQHFJOIOGIQ-QQOXFEPMSA-N
XLogP1.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide
CID 114918892
2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide
CID 115764551
2-hydroxy-N-(2-methylsulfinylpropyl)benzamide
CID 115765209
2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 103846823
1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-methylbutan-1-one
CID 62380855
5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide
CID 113483959
5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide
CID 71844288
2-fluoro-N-(2-methylsulfinylpropyl)-3-(trifluoromethyl)benzamide
CID 115764438
6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115869324
1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(2R)-2-[(S)-methylsulfinyl]propyl]urea
CID 97328956
4-fluoro-N-(2-methylsulfinylpropyl)-3-sulfanylbenzamide
CID 107035456
2-bromo-5-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 115764428

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-2-hydroxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]benzamide?
The IUPAC name of 3-chloro-5-fluoro-2-hydroxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]benzamide (CID 97241880) is 3-chloro-5-fluoro-2-hydroxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]benzamide.
What is the SMILES notation for 3-chloro-5-fluoro-2-hydroxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]benzamide?
The canonical SMILES for 3-chloro-5-fluoro-2-hydroxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]benzamide is C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1O)[S@](C)=O.
What is the InChIKey of 3-chloro-5-fluoro-2-hydroxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]benzamide?
The InChIKey is AHPKQHFJOIOGIQ-QQOXFEPMSA-N. The full InChI is InChI=1S/C11H13ClFNO3S/c1-6(18(2)17)5-14-11(16)8-3-7(13)4-9(12)10(8)15/h3-4,6,15H,5H2,1-2H3,(H,14,16)/t6-,18-/m0/s1.
What are the key properties of 3-chloro-5-fluoro-2-hydroxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]benzamide?
3-chloro-5-fluoro-2-hydroxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]benzamide has a molecular weight of 293.75 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-2-hydroxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]benzamide is sourced from PubChem (CID 97241880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).