N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide

C16H15ClFNOS — CID 9173217

IUPACN-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15ClFNOS/c1-10(2)21-15-6-4-3-5-12(15)16(20)19-11-7-8-14(18)13(17)9-11/h3-10H,1-2H3,(H,19,20)
InChIKeyIUEXZSOXDPWFEP-UHFFFAOYSA-N
MW323.82 g/mol
LogP5.23
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide

N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide (PubChem CID 9173217) has the molecular formula C16H15ClFNOS and a molecular weight of 323.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide
PubChem CID9173217
Molecular FormulaC16H15ClFNOS
Molecular Weight323.82 g/mol
Exact Mass323.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15ClFNOS/c1-10(2)21-15-6-4-3-5-12(15)16(20)19-11-7-8-14(18)13(17)9-11/h3-10H,1-2H3,(H,19,20)
InChIKeyIUEXZSOXDPWFEP-UHFFFAOYSA-N
XLogP5.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.82
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224527
N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224609
N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide
CID 9179609
methyl 2-[2-[(4-chloro-3-fluorophenyl)carbamoyl]phenyl]sulfanylpropanoate
CID 55881305
N-(3-chloro-4-fluorophenyl)-2-iodobenzamide
CID 615783
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 112758656
2-[2-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119181392
N-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide
CID 75534018
N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 78773494
N-(3-chloro-4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 4781650
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide (CID 9173217) is N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide is CC(C)Sc1ccccc1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide?
The InChIKey is IUEXZSOXDPWFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNOS/c1-10(2)21-15-6-4-3-5-12(15)16(20)19-11-7-8-14(18)13(17)9-11/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide?
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide has a molecular weight of 323.82 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 9173217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).