2,4-dimethoxy-5-(2-phenylpyrazol-3-yl)benzenesulfonyl chloride

C17H15ClN2O4S — CID 59705148

IUPAC2,4-dimethoxy-5-(2-phenylpyrazol-3-yl)benzenesulfonyl chloride
SMILESCOc1cc(OC)c(S(=O)(=O)Cl)cc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C17H15ClN2O4S/c1-23-15-11-16(24-2)17(25(18,21)22)10-13(15)14-8-9-19-20(14)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyZYHASPQAVKKSTD-UHFFFAOYSA-N
MW378.84 g/mol
LogP3.48
Rot. Bonds5

About 2,4-dimethoxy-5-(2-phenylpyrazol-3-yl)benzenesulfonyl chloride

2,4-dimethoxy-5-(2-phenylpyrazol-3-yl)benzenesulfonyl chloride (PubChem CID 59705148) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is 2,4-dimethoxy-5-(2-phenylpyrazol-3-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dimethoxy-5-(2-phenylpyrazol-3-yl)benzenesulfonyl chloride
PubChem CID59705148
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC Name2,4-dimethoxy-5-(2-phenylpyrazol-3-yl)benzenesulfonyl chloride
SMILESCOc1cc(OC)c(S(=O)(=O)Cl)cc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C17H15ClN2O4S/c1-23-15-11-16(24-2)17(25(18,21)22)10-13(15)14-8-9-19-20(14)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyZYHASPQAVKKSTD-UHFFFAOYSA-N
XLogP3.48
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-(2-phenylpyrazol-3-yl)benzenesulfonyl chloride?
The IUPAC name of 2,4-dimethoxy-5-(2-phenylpyrazol-3-yl)benzenesulfonyl chloride (CID 59705148) is 2,4-dimethoxy-5-(2-phenylpyrazol-3-yl)benzenesulfonyl chloride.
What is the SMILES notation for 2,4-dimethoxy-5-(2-phenylpyrazol-3-yl)benzenesulfonyl chloride?
The canonical SMILES for 2,4-dimethoxy-5-(2-phenylpyrazol-3-yl)benzenesulfonyl chloride is COc1cc(OC)c(S(=O)(=O)Cl)cc1-c1ccnn1-c1ccccc1.
What is the InChIKey of 2,4-dimethoxy-5-(2-phenylpyrazol-3-yl)benzenesulfonyl chloride?
The InChIKey is ZYHASPQAVKKSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c1-23-15-11-16(24-2)17(25(18,21)22)10-13(15)14-8-9-19-20(14)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 2,4-dimethoxy-5-(2-phenylpyrazol-3-yl)benzenesulfonyl chloride?
2,4-dimethoxy-5-(2-phenylpyrazol-3-yl)benzenesulfonyl chloride has a molecular weight of 378.84 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-(2-phenylpyrazol-3-yl)benzenesulfonyl chloride is sourced from PubChem (CID 59705148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).