2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide

C10H7Cl2N3O2S — CID 3113470

IUPAC2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H7Cl2N3O2S/c11-7-2-3-8(12)9(6-7)18(16,17)15-10-13-4-1-5-14-10/h1-6H,(H,13,14,15)
InChIKeyXVCRJNXQICMDCG-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.58
Rot. Bonds3

About 2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide

2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 3113470) has the molecular formula C10H7Cl2N3O2S and a molecular weight of 304.16 g/mol. Its IUPAC name is 2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID3113470
Molecular FormulaC10H7Cl2N3O2S
Molecular Weight304.16 g/mol
Exact Mass302.96
IUPAC Name2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H7Cl2N3O2S/c11-7-2-3-8(12)9(6-7)18(16,17)15-10-13-4-1-5-14-10/h1-6H,(H,13,14,15)
InChIKeyXVCRJNXQICMDCG-UHFFFAOYSA-N
XLogP2.58
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.58
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-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide (CID 3113470) is 2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ncccn1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is XVCRJNXQICMDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2S/c11-7-2-3-8(12)9(6-7)18(16,17)15-10-13-4-1-5-14-10/h1-6H,(H,13,14,15).
What are the key properties of 2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide?
2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 304.16 g/mol, XLogP of 2.58, 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-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 3113470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).