N-[3-[(3-chloro-2-pyridinyl)sulfonyl]propyl]acetamide

C10H13ClN2O3S — CID 75482741

IUPACN-[3-[(3-chloro-2-pyridinyl)sulfonyl]propyl]acetamide
SMILESCC(=O)NCCCS(=O)(=O)c1ncccc1Cl
InChIInChI=1S/C10H13ClN2O3S/c1-8(14)12-6-3-7-17(15,16)10-9(11)4-2-5-13-10/h2,4-5H,3,6-7H2,1H3,(H,12,14)
InChIKeyMNJUXSFAMOTLEL-UHFFFAOYSA-N
MW276.75 g/mol
LogP1.03
Rot. Bonds5

About N-[3-[(3-chloro-2-pyridinyl)sulfonyl]propyl]acetamide

N-[3-[(3-chloro-2-pyridinyl)sulfonyl]propyl]acetamide (PubChem CID 75482741) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is N-[3-[(3-chloro-2-pyridinyl)sulfonyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-chloro-2-pyridinyl)sulfonyl]propyl]acetamide
PubChem CID75482741
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC NameN-[3-[(3-chloro-2-pyridinyl)sulfonyl]propyl]acetamide
SMILESCC(=O)NCCCS(=O)(=O)c1ncccc1Cl
InChIInChI=1S/C10H13ClN2O3S/c1-8(14)12-6-3-7-17(15,16)10-9(11)4-2-5-13-10/h2,4-5H,3,6-7H2,1H3,(H,12,14)
InChIKeyMNJUXSFAMOTLEL-UHFFFAOYSA-N
XLogP1.03
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide
CID 57388872
N-Propyl-2-{[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]sulfanyl}acetamide
CID 7594067
N-butan-2-yl-2-[5-[cyclohexyl(methyl)sulfamoyl]pyridin-2-yl]sulfanylacetamide
CID 16328362
2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N-propylacetamide
CID 7759445
N-pentan-3-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7759432
N-[2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethyl]acetamide
CID 9509130
N-cyclopentyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 16307922
2-methyl-N-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl]propanamide
CID 127039435
2,2-dimethyl-N-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl]propanamide
CID 127042660
2-[(5-chloro-2-pyridinyl)sulfonyl]-2-methyl-N-(3-phenylpropyl)propanamide
CID 155535764
N-[2-(4-chlorophenyl)sulfanylethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 67991864
N-[2-(3-chlorophenyl)sulfanylethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 67991880

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chloro-2-pyridinyl)sulfonyl]propyl]acetamide?
The IUPAC name of N-[3-[(3-chloro-2-pyridinyl)sulfonyl]propyl]acetamide (CID 75482741) is N-[3-[(3-chloro-2-pyridinyl)sulfonyl]propyl]acetamide.
What is the SMILES notation for N-[3-[(3-chloro-2-pyridinyl)sulfonyl]propyl]acetamide?
The canonical SMILES for N-[3-[(3-chloro-2-pyridinyl)sulfonyl]propyl]acetamide is CC(=O)NCCCS(=O)(=O)c1ncccc1Cl.
What is the InChIKey of N-[3-[(3-chloro-2-pyridinyl)sulfonyl]propyl]acetamide?
The InChIKey is MNJUXSFAMOTLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-8(14)12-6-3-7-17(15,16)10-9(11)4-2-5-13-10/h2,4-5H,3,6-7H2,1H3,(H,12,14).
What are the key properties of N-[3-[(3-chloro-2-pyridinyl)sulfonyl]propyl]acetamide?
N-[3-[(3-chloro-2-pyridinyl)sulfonyl]propyl]acetamide has a molecular weight of 276.75 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chloro-2-pyridinyl)sulfonyl]propyl]acetamide is sourced from PubChem (CID 75482741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).