5-chloro-3-cyclopropyl-1-[(2-methylphenyl)methyl]pyrazole-4-sulfonyl chloride

C14H14Cl2N2O2S — CID 82917184

IUPAC5-chloro-3-cyclopropyl-1-[(2-methylphenyl)methyl]pyrazole-4-sulfonyl chloride
SMILESCc1ccccc1Cn1nc(C2CC2)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-9-4-2-3-5-11(9)8-18-14(15)13(21(16,19)20)12(17-18)10-6-7-10/h2-5,10H,6-8H2,1H3
InChIKeyHRHLNVOXRQXOPZ-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.70
Rot. Bonds4

About 5-chloro-3-cyclopropyl-1-[(2-methylphenyl)methyl]pyrazole-4-sulfonyl chloride

5-chloro-3-cyclopropyl-1-[(2-methylphenyl)methyl]pyrazole-4-sulfonyl chloride (PubChem CID 82917184) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 5-chloro-3-cyclopropyl-1-[(2-methylphenyl)methyl]pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-3-cyclopropyl-1-[(2-methylphenyl)methyl]pyrazole-4-sulfonyl chloride
PubChem CID82917184
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name5-chloro-3-cyclopropyl-1-[(2-methylphenyl)methyl]pyrazole-4-sulfonyl chloride
SMILESCc1ccccc1Cn1nc(C2CC2)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-9-4-2-3-5-11(9)8-18-14(15)13(21(16,19)20)12(17-18)10-6-7-10/h2-5,10H,6-8H2,1H3
InChIKeyHRHLNVOXRQXOPZ-UHFFFAOYSA-N
XLogP3.70
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopropyl-1-[(2-methylphenyl)methyl]pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-chloro-3-cyclopropyl-1-[(2-methylphenyl)methyl]pyrazole-4-sulfonyl chloride (CID 82917184) is 5-chloro-3-cyclopropyl-1-[(2-methylphenyl)methyl]pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-chloro-3-cyclopropyl-1-[(2-methylphenyl)methyl]pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-chloro-3-cyclopropyl-1-[(2-methylphenyl)methyl]pyrazole-4-sulfonyl chloride is Cc1ccccc1Cn1nc(C2CC2)c(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 5-chloro-3-cyclopropyl-1-[(2-methylphenyl)methyl]pyrazole-4-sulfonyl chloride?
The InChIKey is HRHLNVOXRQXOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-9-4-2-3-5-11(9)8-18-14(15)13(21(16,19)20)12(17-18)10-6-7-10/h2-5,10H,6-8H2,1H3.
What are the key properties of 5-chloro-3-cyclopropyl-1-[(2-methylphenyl)methyl]pyrazole-4-sulfonyl chloride?
5-chloro-3-cyclopropyl-1-[(2-methylphenyl)methyl]pyrazole-4-sulfonyl chloride has a molecular weight of 345.25 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopropyl-1-[(2-methylphenyl)methyl]pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82917184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).