2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide

C13H15Cl2N3O2S — CID 115750897

IUPAC2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)Nc2n[nH]c(C)c2C)c1Cl
InChIInChI=1S/C13H15Cl2N3O2S/c1-6-5-10(14)8(3)12(11(6)15)21(19,20)18-13-7(2)9(4)16-17-13/h5H,1-4H3,(H2,16,17,18)
InChIKeyLFWDAGJPPDUEOO-UHFFFAOYSA-N
MW348.26 g/mol
LogP3.75
Rot. Bonds3

About 2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide

2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide (PubChem CID 115750897) has the molecular formula C13H15Cl2N3O2S and a molecular weight of 348.26 g/mol. Its IUPAC name is 2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide
PubChem CID115750897
Molecular FormulaC13H15Cl2N3O2S
Molecular Weight348.26 g/mol
Exact Mass347.03
IUPAC Name2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)Nc2n[nH]c(C)c2C)c1Cl
InChIInChI=1S/C13H15Cl2N3O2S/c1-6-5-10(14)8(3)12(11(6)15)21(19,20)18-13-7(2)9(4)16-17-13/h5H,1-4H3,(H2,16,17,18)
InChIKeyLFWDAGJPPDUEOO-UHFFFAOYSA-N
XLogP3.75
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide (CID 115750897) is 2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide is Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2n[nH]c(C)c2C)c1Cl.
What is the InChIKey of 2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide?
The InChIKey is LFWDAGJPPDUEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2S/c1-6-5-10(14)8(3)12(11(6)15)21(19,20)18-13-7(2)9(4)16-17-13/h5H,1-4H3,(H2,16,17,18).
What are the key properties of 2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide?
2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide has a molecular weight of 348.26 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 115750897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).