2,4-dichloro-3-methyl-N-pyridin-3-ylbenzenesulfonamide

C12H10Cl2N2O2S — CID 534146

IUPAC2,4-dichloro-3-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1c(Cl)ccc(S(=O)(=O)Nc2cccnc2)c1Cl
InChIInChI=1S/C12H10Cl2N2O2S/c1-8-10(13)4-5-11(12(8)14)19(17,18)16-9-3-2-6-15-7-9/h2-7,16H,1H3
InChIKeyAHMACNTYWDYETJ-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.50
Rot. Bonds3

About 2,4-dichloro-3-methyl-N-pyridin-3-ylbenzenesulfonamide

2,4-dichloro-3-methyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 534146) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 2,4-dichloro-3-methyl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-methyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID534146
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name2,4-dichloro-3-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1c(Cl)ccc(S(=O)(=O)Nc2cccnc2)c1Cl
InChIInChI=1S/C12H10Cl2N2O2S/c1-8-10(13)4-5-11(12(8)14)19(17,18)16-9-3-2-6-15-7-9/h2-7,16H,1H3
InChIKeyAHMACNTYWDYETJ-UHFFFAOYSA-N
XLogP3.50
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-methyl-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-methyl-N-pyridin-3-ylbenzenesulfonamide (CID 534146) is 2,4-dichloro-3-methyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-methyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-methyl-N-pyridin-3-ylbenzenesulfonamide is Cc1c(Cl)ccc(S(=O)(=O)Nc2cccnc2)c1Cl.
What is the InChIKey of 2,4-dichloro-3-methyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is AHMACNTYWDYETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c1-8-10(13)4-5-11(12(8)14)19(17,18)16-9-3-2-6-15-7-9/h2-7,16H,1H3.
What are the key properties of 2,4-dichloro-3-methyl-N-pyridin-3-ylbenzenesulfonamide?
2,4-dichloro-3-methyl-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 317.20 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-methyl-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 534146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).