2-chloro-N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluorobenzamide

C19H13Cl2FN2O3S — CID 25114701

IUPAC2-chloro-N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluorobenzamide
SMILESCc1cc(S(=O)(=O)NC(=O)c2ccc(F)cc2Cl)cnc1-c1ccccc1Cl
InChIInChI=1S/C19H13Cl2FN2O3S/c1-11-8-13(10-23-18(11)14-4-2-3-5-16(14)20)28(26,27)24-19(25)15-7-6-12(22)9-17(15)21/h2-10H,1H3,(H,24,25)
InChIKeyKLUQAIWIDIFUOS-UHFFFAOYSA-N
MW439.30 g/mol
LogP4.62
Rot. Bonds4

About 2-chloro-N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluorobenzamide

2-chloro-N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluorobenzamide (PubChem CID 25114701) has the molecular formula C19H13Cl2FN2O3S and a molecular weight of 439.30 g/mol. Its IUPAC name is 2-chloro-N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluorobenzamide
PubChem CID25114701
Molecular FormulaC19H13Cl2FN2O3S
Molecular Weight439.30 g/mol
Exact Mass438.00
IUPAC Name2-chloro-N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluorobenzamide
SMILESCc1cc(S(=O)(=O)NC(=O)c2ccc(F)cc2Cl)cnc1-c1ccccc1Cl
InChIInChI=1S/C19H13Cl2FN2O3S/c1-11-8-13(10-23-18(11)14-4-2-3-5-16(14)20)28(26,27)24-19(25)15-7-6-12(22)9-17(15)21/h2-10H,1H3,(H,24,25)
InChIKeyKLUQAIWIDIFUOS-UHFFFAOYSA-N
XLogP4.62
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.30
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluorobenzamide (CID 25114701) is 2-chloro-N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluorobenzamide is Cc1cc(S(=O)(=O)NC(=O)c2ccc(F)cc2Cl)cnc1-c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluorobenzamide?
The InChIKey is KLUQAIWIDIFUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN2O3S/c1-11-8-13(10-23-18(11)14-4-2-3-5-16(14)20)28(26,27)24-19(25)15-7-6-12(22)9-17(15)21/h2-10H,1H3,(H,24,25).
What are the key properties of 2-chloro-N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluorobenzamide?
2-chloro-N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluorobenzamide has a molecular weight of 439.30 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluorobenzamide is sourced from PubChem (CID 25114701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).