N-[[2-(3,4-dichloroanilino)-3-pyridinyl]sulfonyl]acetamide

C13H11Cl2N3O3S — CID 1214525

IUPACN-[[2-(3,4-dichloroanilino)-3-pyridinyl]sulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O3S/c1-8(19)18-22(20,21)12-3-2-6-16-13(12)17-9-4-5-10(14)11(15)7-9/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyLCWNSNYUXWHABC-UHFFFAOYSA-N
MW360.22 g/mol
LogP2.96
Rot. Bonds4

About N-[[2-(3,4-dichloroanilino)-3-pyridinyl]sulfonyl]acetamide

N-[[2-(3,4-dichloroanilino)-3-pyridinyl]sulfonyl]acetamide (PubChem CID 1214525) has the molecular formula C13H11Cl2N3O3S and a molecular weight of 360.22 g/mol. Its IUPAC name is N-[[2-(3,4-dichloroanilino)-3-pyridinyl]sulfonyl]acetamide.

Molecular Properties

Compound NameN-[[2-(3,4-dichloroanilino)-3-pyridinyl]sulfonyl]acetamide
PubChem CID1214525
Molecular FormulaC13H11Cl2N3O3S
Molecular Weight360.22 g/mol
Exact Mass358.99
IUPAC NameN-[[2-(3,4-dichloroanilino)-3-pyridinyl]sulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O3S/c1-8(19)18-22(20,21)12-3-2-6-16-13(12)17-9-4-5-10(14)11(15)7-9/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyLCWNSNYUXWHABC-UHFFFAOYSA-N
XLogP2.96
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dichloroanilino)-3-pyridinyl]sulfonyl]acetamide?
The IUPAC name of N-[[2-(3,4-dichloroanilino)-3-pyridinyl]sulfonyl]acetamide (CID 1214525) is N-[[2-(3,4-dichloroanilino)-3-pyridinyl]sulfonyl]acetamide.
What is the SMILES notation for N-[[2-(3,4-dichloroanilino)-3-pyridinyl]sulfonyl]acetamide?
The canonical SMILES for N-[[2-(3,4-dichloroanilino)-3-pyridinyl]sulfonyl]acetamide is CC(=O)NS(=O)(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[2-(3,4-dichloroanilino)-3-pyridinyl]sulfonyl]acetamide?
The InChIKey is LCWNSNYUXWHABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3S/c1-8(19)18-22(20,21)12-3-2-6-16-13(12)17-9-4-5-10(14)11(15)7-9/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[[2-(3,4-dichloroanilino)-3-pyridinyl]sulfonyl]acetamide?
N-[[2-(3,4-dichloroanilino)-3-pyridinyl]sulfonyl]acetamide has a molecular weight of 360.22 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dichloroanilino)-3-pyridinyl]sulfonyl]acetamide is sourced from PubChem (CID 1214525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).