5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide

C12H14ClF2NOS — CID 43440240

IUPAC5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
SMILESO=C(CCCCCl)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C12H14ClF2NOS/c13-8-2-1-3-11(17)16-9-4-6-10(7-5-9)18-12(14)15/h4-7,12H,1-3,8H2,(H,16,17)
InChIKeyPNSRPVJYZHAXEG-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.35
Rot. Bonds7

About 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide

5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide (PubChem CID 43440240) has the molecular formula C12H14ClF2NOS and a molecular weight of 293.77 g/mol. Its IUPAC name is 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
PubChem CID43440240
Molecular FormulaC12H14ClF2NOS
Molecular Weight293.77 g/mol
Exact Mass293.05
IUPAC Name5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
SMILESO=C(CCCCCl)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C12H14ClF2NOS/c13-8-2-1-3-11(17)16-9-4-6-10(7-5-9)18-12(14)15/h4-7,12H,1-3,8H2,(H,16,17)
InChIKeyPNSRPVJYZHAXEG-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 78773616
5-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pentanamide
CID 43699502
1-(2-chloroethyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea
CID 2327059
3-chloro-N-(4-propan-2-ylsulfanylphenyl)propanamide
CID 115162345
N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 112759140
3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,2-dimethylpropanamide
CID 60723044
N-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 51082840
5-chloro-N-(3,4-difluorophenyl)pentanamide
CID 28971468
2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 26908550
2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 2094790
N-[4-(difluoromethylsulfanyl)phenyl]-3-morpholin-4-ylpropanamide
CID 136580272
methyl 4-(5-chloropentanoylamino)benzoate
CID 11507300

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide?
The IUPAC name of 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide (CID 43440240) is 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide?
The canonical SMILES for 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide is O=C(CCCCCl)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide?
The InChIKey is PNSRPVJYZHAXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NOS/c13-8-2-1-3-11(17)16-9-4-6-10(7-5-9)18-12(14)15/h4-7,12H,1-3,8H2,(H,16,17).
What are the key properties of 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide?
5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide has a molecular weight of 293.77 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide is sourced from PubChem (CID 43440240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).