4-(2-fluoropropylsulfanyl)benzamide

C10H12FNOS — CID 155718332

IUPAC4-(2-fluoropropylsulfanyl)benzamide
SMILESCC(F)CSc1ccc(C(N)=O)cc1
InChIInChI=1S/C10H12FNOS/c1-7(11)6-14-9-4-2-8(3-5-9)10(12)13/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyVZILZCLSYIRZIY-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.24
Rot. Bonds4

About 4-(2-fluoropropylsulfanyl)benzamide

4-(2-fluoropropylsulfanyl)benzamide (PubChem CID 155718332) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(2-fluoropropylsulfanyl)benzamide.

Molecular Properties

Compound Name4-(2-fluoropropylsulfanyl)benzamide
PubChem CID155718332
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name4-(2-fluoropropylsulfanyl)benzamide
SMILESCC(F)CSc1ccc(C(N)=O)cc1
InChIInChI=1S/C10H12FNOS/c1-7(11)6-14-9-4-2-8(3-5-9)10(12)13/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyVZILZCLSYIRZIY-UHFFFAOYSA-N
XLogP2.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2,3-dihydro-1H-indene;ethane;4-(2-fluoropropylsulfanyl)benzamide
CID 155718331
4-(2-methylpropylsulfanyl)benzoic acid
CID 16793794
4-aminosulfanylbenzamide
CID 22301586
4-(1-hydroxyethyl)benzamide
CID 22716490
4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide
CID 130706174
4-[(1R,2S)-1-amino-2-hydroxypropyl]benzamide
CID 131145263
4-(3-methylpentan-2-yl)benzamide
CID 126657369
N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide
CID 43125829
4-(2-methylbutylsulfanyl)benzoic acid
CID 62105841
4-[(4-bromophenyl)methylsulfanyl]benzamide
CID 101354416
4-(1-hydroxy-3-methylbutyl)benzamide
CID 118216553
4-[(2R)-4-aminobutan-2-yl]benzamide
CID 70592711

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropylsulfanyl)benzamide?
The IUPAC name of 4-(2-fluoropropylsulfanyl)benzamide (CID 155718332) is 4-(2-fluoropropylsulfanyl)benzamide.
What is the SMILES notation for 4-(2-fluoropropylsulfanyl)benzamide?
The canonical SMILES for 4-(2-fluoropropylsulfanyl)benzamide is CC(F)CSc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(2-fluoropropylsulfanyl)benzamide?
The InChIKey is VZILZCLSYIRZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-7(11)6-14-9-4-2-8(3-5-9)10(12)13/h2-5,7H,6H2,1H3,(H2,12,13).
What are the key properties of 4-(2-fluoropropylsulfanyl)benzamide?
4-(2-fluoropropylsulfanyl)benzamide has a molecular weight of 213.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropylsulfanyl)benzamide is sourced from PubChem (CID 155718332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).