2-tert-butylsulfinyl-6-fluorobenzamide

C11H14FNO2S — CID 18972674

IUPAC2-tert-butylsulfinyl-6-fluorobenzamide
SMILESCC(C)(C)S(=O)c1cccc(F)c1C(N)=O
InChIInChI=1S/C11H14FNO2S/c1-11(2,3)16(15)8-6-4-5-7(12)9(8)10(13)14/h4-6H,1-3H3,(H2,13,14)
InChIKeyYCVQALAYTIWISY-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.83
Rot. Bonds2

About 2-tert-butylsulfinyl-6-fluorobenzamide

2-tert-butylsulfinyl-6-fluorobenzamide (PubChem CID 18972674) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-tert-butylsulfinyl-6-fluorobenzamide.

Molecular Properties

Compound Name2-tert-butylsulfinyl-6-fluorobenzamide
PubChem CID18972674
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name2-tert-butylsulfinyl-6-fluorobenzamide
SMILESCC(C)(C)S(=O)c1cccc(F)c1C(N)=O
InChIInChI=1S/C11H14FNO2S/c1-11(2,3)16(15)8-6-4-5-7(12)9(8)10(13)14/h4-6H,1-3H3,(H2,13,14)
InChIKeyYCVQALAYTIWISY-UHFFFAOYSA-N
XLogP1.83
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-(4-(2,4-difluorostyryl)phenylsulfonyl)benzamide
CID 21099433
(E)-4-(4-(2,4-difluorostyryl)phenylsulfonyl)benzamide
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4-[(Trifluoromethyl)sulfanyl]benzamide
CID 2422516
Farnesyl Thiosalicylic Acid Amide
CID 25187973
Benzamide, p-(isopropylsulfonyl)-
CID 210035
2-fluoro-N-(phenylsulfonyl)benzamide
CID 2147255
4-Methanesulfonylbenzamide
CID 15640625
2-Sulfamoylbenzamide
CID 18513146
2,2'-Thiobis(benzamide)
CID 99686
N-(4-fluorophenyl)sulfonylbenzamide
CID 972840
2-(Phenylthio)benzamide
CID 2728632
3-Methylsulfanylbenzamide
CID 44581297

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfinyl-6-fluorobenzamide?
The IUPAC name of 2-tert-butylsulfinyl-6-fluorobenzamide (CID 18972674) is 2-tert-butylsulfinyl-6-fluorobenzamide.
What is the SMILES notation for 2-tert-butylsulfinyl-6-fluorobenzamide?
The canonical SMILES for 2-tert-butylsulfinyl-6-fluorobenzamide is CC(C)(C)S(=O)c1cccc(F)c1C(N)=O.
What is the InChIKey of 2-tert-butylsulfinyl-6-fluorobenzamide?
The InChIKey is YCVQALAYTIWISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-11(2,3)16(15)8-6-4-5-7(12)9(8)10(13)14/h4-6H,1-3H3,(H2,13,14).
What are the key properties of 2-tert-butylsulfinyl-6-fluorobenzamide?
2-tert-butylsulfinyl-6-fluorobenzamide has a molecular weight of 243.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfinyl-6-fluorobenzamide is sourced from PubChem (CID 18972674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).