2,3-dichloro-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide

C13H13Cl2N3O2S — CID 11551952

IUPAC2,3-dichloro-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide
SMILESCC(C)c1nccc(NS(=O)(=O)c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H13Cl2N3O2S/c1-8(2)13-16-7-6-11(17-13)18-21(19,20)10-5-3-4-9(14)12(10)15/h3-8H,1-2H3,(H,16,17,18)
InChIKeyIJCDVZFQQXVIOM-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.71
Rot. Bonds4

About 2,3-dichloro-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide

2,3-dichloro-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide (PubChem CID 11551952) has the molecular formula C13H13Cl2N3O2S and a molecular weight of 346.24 g/mol. Its IUPAC name is 2,3-dichloro-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide
PubChem CID11551952
Molecular FormulaC13H13Cl2N3O2S
Molecular Weight346.24 g/mol
Exact Mass345.01
IUPAC Name2,3-dichloro-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide
SMILESCC(C)c1nccc(NS(=O)(=O)c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H13Cl2N3O2S/c1-8(2)13-16-7-6-11(17-13)18-21(19,20)10-5-3-4-9(14)12(10)15/h3-8H,1-2H3,(H,16,17,18)
InChIKeyIJCDVZFQQXVIOM-UHFFFAOYSA-N
XLogP3.71
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide (CID 11551952) is 2,3-dichloro-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide is CC(C)c1nccc(NS(=O)(=O)c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2,3-dichloro-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide?
The InChIKey is IJCDVZFQQXVIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2S/c1-8(2)13-16-7-6-11(17-13)18-21(19,20)10-5-3-4-9(14)12(10)15/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of 2,3-dichloro-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide?
2,3-dichloro-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide has a molecular weight of 346.24 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 11551952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).