2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide

C14H11ClF2N2O3S2 — CID 24601997

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
SMILESO=C(CSc1ncccc1Cl)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H11ClF2N2O3S2/c15-11-2-1-7-18-13(11)23-8-12(20)19-9-3-5-10(6-4-9)24(21,22)14(16)17/h1-7,14H,8H2,(H,19,20)
InChIKeyVNXNQJWECYOJFI-UHFFFAOYSA-N
MW392.84 g/mol
LogP3.46
Rot. Bonds6

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide (PubChem CID 24601997) has the molecular formula C14H11ClF2N2O3S2 and a molecular weight of 392.84 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
PubChem CID24601997
Molecular FormulaC14H11ClF2N2O3S2
Molecular Weight392.84 g/mol
Exact Mass391.99
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
SMILESO=C(CSc1ncccc1Cl)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H11ClF2N2O3S2/c15-11-2-1-7-18-13(11)23-8-12(20)19-9-3-5-10(6-4-9)24(21,22)14(16)17/h1-7,14H,8H2,(H,19,20)
InChIKeyVNXNQJWECYOJFI-UHFFFAOYSA-N
XLogP3.46
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 51319532
2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 42041858
2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 24601940
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 51319417
N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
CID 51319436
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 46693870
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 47138570
3-[4-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 62230790
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 46670372
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24602003
2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 4249570
2-(4-chlorophenoxy)-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 8503445

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide (CID 24601997) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide is O=C(CSc1ncccc1Cl)Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide?
The InChIKey is VNXNQJWECYOJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O3S2/c15-11-2-1-7-18-13(11)23-8-12(20)19-9-3-5-10(6-4-9)24(21,22)14(16)17/h1-7,14H,8H2,(H,19,20).
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide?
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide has a molecular weight of 392.84 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 24601997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).