2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

C12H11Cl2N3O2S — CID 1147617

IUPAC2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H11Cl2N3O2S/c1-7-5-8(2)16-12(15-7)17-20(18,19)11-6-9(13)3-4-10(11)14/h3-6H,1-2H3,(H,15,16,17)
InChIKeyBPPWASMMWHOTHQ-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.20
Rot. Bonds3

About 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 1147617) has the molecular formula C12H11Cl2N3O2S and a molecular weight of 332.21 g/mol. Its IUPAC name is 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
PubChem CID1147617
Molecular FormulaC12H11Cl2N3O2S
Molecular Weight332.21 g/mol
Exact Mass330.99
IUPAC Name2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H11Cl2N3O2S/c1-7-5-8(2)16-12(15-7)17-20(18,19)11-6-9(13)3-4-10(11)14/h3-6H,1-2H3,(H,15,16,17)
InChIKeyBPPWASMMWHOTHQ-UHFFFAOYSA-N
XLogP3.20
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (CID 1147617) is 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is BPPWASMMWHOTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S/c1-7-5-8(2)16-12(15-7)17-20(18,19)11-6-9(13)3-4-10(11)14/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 332.21 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 1147617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).