N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide

C14H10Cl2N2O3S — CID 24602004

IUPACN-(6-chloro-1,3-benzodioxol-5-yl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ncccc1Cl)Nc1cc2c(cc1Cl)OCO2
InChIInChI=1S/C14H10Cl2N2O3S/c15-8-2-1-3-17-14(8)22-6-13(19)18-10-5-12-11(4-9(10)16)20-7-21-12/h1-5H,6-7H2,(H,18,19)
InChIKeyHAZBMNSSQRVLKK-UHFFFAOYSA-N
MW357.22 g/mol
LogP3.85
Rot. Bonds4

About N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide

N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide (PubChem CID 24602004) has the molecular formula C14H10Cl2N2O3S and a molecular weight of 357.22 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzodioxol-5-yl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
PubChem CID24602004
Molecular FormulaC14H10Cl2N2O3S
Molecular Weight357.22 g/mol
Exact Mass355.98
IUPAC NameN-(6-chloro-1,3-benzodioxol-5-yl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ncccc1Cl)Nc1cc2c(cc1Cl)OCO2
InChIInChI=1S/C14H10Cl2N2O3S/c15-8-2-1-3-17-14(8)22-6-13(19)18-10-5-12-11(4-9(10)16)20-7-21-12/h1-5H,6-7H2,(H,18,19)
InChIKeyHAZBMNSSQRVLKK-UHFFFAOYSA-N
XLogP3.85
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Benzo[1,3]dioxol-5-yl-2-(5-nitro-pyridin-2-ylsulfanyl)-acetamide
CID 1088770
N-(1,3-benzodioxol-5-yl)-2-(2-pyridinylsulfanyl)acetamide
CID 708800
N-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylsulfanylpropanamide
CID 16303525
N-(1,3-benzodioxol-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2341784
N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2370057
N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-2-sulfonamide
CID 135071198
(2S)-N-(1,3-benzodioxol-5-yl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 2473618
(2R)-N-(1,3-benzodioxol-5-yl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 2473621
N-(1,3-benzodioxol-5-yl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 4968845
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 5243610
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridin-2-ylsulfanylacetamide
CID 16530272
N-(6-chloro-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158584

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide (CID 24602004) is N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide is O=C(CSc1ncccc1Cl)Nc1cc2c(cc1Cl)OCO2.
What is the InChIKey of N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is HAZBMNSSQRVLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3S/c15-8-2-1-3-17-14(8)22-6-13(19)18-10-5-12-11(4-9(10)16)20-7-21-12/h1-5H,6-7H2,(H,18,19).
What are the key properties of N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide?
N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 357.22 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 24602004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).