2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide

C16H14Cl3NOS — CID 43905210

IUPAC2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H14Cl3NOS/c1-2-15(22-14-5-3-10(17)4-6-14)16(21)20-13-8-11(18)7-12(19)9-13/h3-9,15H,2H2,1H3,(H,20,21)
InChIKeyXROZIDPHPNMZGC-UHFFFAOYSA-N
MW374.72 g/mol
LogP6.16
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide

2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide (PubChem CID 43905210) has the molecular formula C16H14Cl3NOS and a molecular weight of 374.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
PubChem CID43905210
Molecular FormulaC16H14Cl3NOS
Molecular Weight374.72 g/mol
Exact Mass372.99
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H14Cl3NOS/c1-2-15(22-14-5-3-10(17)4-6-14)16(21)20-13-8-11(18)7-12(19)9-13/h3-9,15H,2H2,1H3,(H,20,21)
InChIKeyXROZIDPHPNMZGC-UHFFFAOYSA-N
XLogP6.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.72
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 92674766
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 28631688
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38020183
(2S)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)sulfanylbutanamide
CID 30386688
2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide
CID 132761064
(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
CID 30392493
ethyl 3-[[(2R)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzoate
CID 99954695
2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 43916012
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide
CID 18275938
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
CID 28635750
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
CID 94018758
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide
CID 92673326

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide (CID 43905210) is 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide is CCC(Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide?
The InChIKey is XROZIDPHPNMZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NOS/c1-2-15(22-14-5-3-10(17)4-6-14)16(21)20-13-8-11(18)7-12(19)9-13/h3-9,15H,2H2,1H3,(H,20,21).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide?
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide has a molecular weight of 374.72 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide is sourced from PubChem (CID 43905210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).