1-(4-chloro-3-methylphenyl)sulfonylpyrazole

C10H9ClN2O2S — CID 39730104

IUPAC1-(4-chloro-3-methylphenyl)sulfonylpyrazole
SMILESCc1cc(S(=O)(=O)n2cccn2)ccc1Cl
InChIInChI=1S/C10H9ClN2O2S/c1-8-7-9(3-4-10(8)11)16(14,15)13-6-2-5-12-13/h2-7H,1H3
InChIKeyIPIAFZZCZADXJV-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.08
Rot. Bonds2

About 1-(4-chloro-3-methylphenyl)sulfonylpyrazole

1-(4-chloro-3-methylphenyl)sulfonylpyrazole (PubChem CID 39730104) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)sulfonylpyrazole
PubChem CID39730104
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name1-(4-chloro-3-methylphenyl)sulfonylpyrazole
SMILESCc1cc(S(=O)(=O)n2cccn2)ccc1Cl
InChIInChI=1S/C10H9ClN2O2S/c1-8-7-9(3-4-10(8)11)16(14,15)13-6-2-5-12-13/h2-7H,1H3
InChIKeyIPIAFZZCZADXJV-UHFFFAOYSA-N
XLogP2.08
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-nitrophenyl)sulfonylpyrazole
CID 39845417
1-(4-tert-butylphenyl)sulfonylpyrazole
CID 843460
1-(4-chloro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 738644
1-(2,4,5-trimethylphenyl)sulfonylpyrazole
CID 15943925
1-(4-nitrophenyl)sulfonylpyrazole
CID 737698
1-[4-(2-methylpropyl)phenyl]sulfonylpyrazole
CID 6621128
1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine
CID 1239307
1-chloro-4-(chloromethylsulfonyl)-2-methylbenzene
CID 117036669
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 39730574
1-(2,5-dibromo-4-methylphenyl)sulfonylpyrazole
CID 91670014
4-chloro-3-methylbenzenesulfonohydrazide
CID 82079936

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)sulfonylpyrazole?
The IUPAC name of 1-(4-chloro-3-methylphenyl)sulfonylpyrazole (CID 39730104) is 1-(4-chloro-3-methylphenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)sulfonylpyrazole?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)sulfonylpyrazole is Cc1cc(S(=O)(=O)n2cccn2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)sulfonylpyrazole?
The InChIKey is IPIAFZZCZADXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c1-8-7-9(3-4-10(8)11)16(14,15)13-6-2-5-12-13/h2-7H,1H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)sulfonylpyrazole?
1-(4-chloro-3-methylphenyl)sulfonylpyrazole has a molecular weight of 256.71 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)sulfonylpyrazole is sourced from PubChem (CID 39730104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).