4-chloro-N-(5-chloro-4,6-dimethyl-3-pyridinyl)benzenesulfonamide

C13H12Cl2N2O2S — CID 75538652

IUPAC4-chloro-N-(5-chloro-4,6-dimethyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ncc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1Cl
InChIInChI=1S/C13H12Cl2N2O2S/c1-8-12(7-16-9(2)13(8)15)17-20(18,19)11-5-3-10(14)4-6-11/h3-7,17H,1-2H3
InChIKeyPZAWPVRQXLHUOZ-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.81
Rot. Bonds3

About 4-chloro-N-(5-chloro-4,6-dimethyl-3-pyridinyl)benzenesulfonamide

4-chloro-N-(5-chloro-4,6-dimethyl-3-pyridinyl)benzenesulfonamide (PubChem CID 75538652) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-4,6-dimethyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-4,6-dimethyl-3-pyridinyl)benzenesulfonamide
PubChem CID75538652
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name4-chloro-N-(5-chloro-4,6-dimethyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ncc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1Cl
InChIInChI=1S/C13H12Cl2N2O2S/c1-8-12(7-16-9(2)13(8)15)17-20(18,19)11-5-3-10(14)4-6-11/h3-7,17H,1-2H3
InChIKeyPZAWPVRQXLHUOZ-UHFFFAOYSA-N
XLogP3.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
N-(5-chloro-4,6-dimethyl-3-pyridinyl)butane-1-sulfonamide
CID 75538658
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide
CID 114257249
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 4600723
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
CID 3315949
4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153
N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide
CID 46534846

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-4,6-dimethyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-chloro-4,6-dimethyl-3-pyridinyl)benzenesulfonamide (CID 75538652) is 4-chloro-N-(5-chloro-4,6-dimethyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-4,6-dimethyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-chloro-4,6-dimethyl-3-pyridinyl)benzenesulfonamide is Cc1ncc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1Cl.
What is the InChIKey of 4-chloro-N-(5-chloro-4,6-dimethyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is PZAWPVRQXLHUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-8-12(7-16-9(2)13(8)15)17-20(18,19)11-5-3-10(14)4-6-11/h3-7,17H,1-2H3.
What are the key properties of 4-chloro-N-(5-chloro-4,6-dimethyl-3-pyridinyl)benzenesulfonamide?
4-chloro-N-(5-chloro-4,6-dimethyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 331.22 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-4,6-dimethyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 75538652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).