2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide

C13H15Cl2N3O2S — CID 22204139

IUPAC2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C13H15Cl2N3O2S/c1-3-18-9-10(7-16-18)8-17(2)21(19,20)13-6-11(14)4-5-12(13)15/h4-7,9H,3,8H2,1-2H3
InChIKeyKWSFGDBCOALJPI-UHFFFAOYSA-N
MW348.26 g/mol
LogP3.03
Rot. Bonds5

About 2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide

2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide (PubChem CID 22204139) has the molecular formula C13H15Cl2N3O2S and a molecular weight of 348.26 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
PubChem CID22204139
Molecular FormulaC13H15Cl2N3O2S
Molecular Weight348.26 g/mol
Exact Mass347.03
IUPAC Name2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C13H15Cl2N3O2S/c1-3-18-9-10(7-16-18)8-17(2)21(19,20)13-6-11(14)4-5-12(13)15/h4-7,9H,3,8H2,1-2H3
InChIKeyKWSFGDBCOALJPI-UHFFFAOYSA-N
XLogP3.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide (CID 22204139) is 2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide is CCn1cc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cn1.
What is the InChIKey of 2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is KWSFGDBCOALJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2S/c1-3-18-9-10(7-16-18)8-17(2)21(19,20)13-6-11(14)4-5-12(13)15/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 348.26 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 22204139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).