4-(4-chlorophenyl)sulfonyl-5-methyl-1H-pyrazole

C10H9ClN2O2S — CID 2819308

IUPAC4-(4-chlorophenyl)sulfonyl-5-methyl-1H-pyrazole
SMILESCc1[nH]ncc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2O2S/c1-7-10(6-12-13-7)16(14,15)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13)
InChIKeyFZMWBSRURXZQGP-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.20
Rot. Bonds2

About 4-(4-chlorophenyl)sulfonyl-5-methyl-1H-pyrazole

4-(4-chlorophenyl)sulfonyl-5-methyl-1H-pyrazole (PubChem CID 2819308) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-5-methyl-1H-pyrazole
PubChem CID2819308
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name4-(4-chlorophenyl)sulfonyl-5-methyl-1H-pyrazole
SMILESCc1[nH]ncc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2O2S/c1-7-10(6-12-13-7)16(14,15)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13)
InChIKeyFZMWBSRURXZQGP-UHFFFAOYSA-N
XLogP2.20
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-5-methyl-1H-pyrazole?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-5-methyl-1H-pyrazole (CID 2819308) is 4-(4-chlorophenyl)sulfonyl-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-5-methyl-1H-pyrazole?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-5-methyl-1H-pyrazole is Cc1[nH]ncc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-5-methyl-1H-pyrazole?
The InChIKey is FZMWBSRURXZQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c1-7-10(6-12-13-7)16(14,15)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13).
What are the key properties of 4-(4-chlorophenyl)sulfonyl-5-methyl-1H-pyrazole?
4-(4-chlorophenyl)sulfonyl-5-methyl-1H-pyrazole has a molecular weight of 256.71 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-5-methyl-1H-pyrazole is sourced from PubChem (CID 2819308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).