4-chloro-1-(3,4-dimethoxyphenyl)sulfonylpyrazole

C11H11ClN2O4S — CID 22200771

IUPAC4-chloro-1-(3,4-dimethoxyphenyl)sulfonylpyrazole
SMILESCOc1ccc(S(=O)(=O)n2cc(Cl)cn2)cc1OC
InChIInChI=1S/C11H11ClN2O4S/c1-17-10-4-3-9(5-11(10)18-2)19(15,16)14-7-8(12)6-13-14/h3-7H,1-2H3
InChIKeyPQQIKVZBAHIHNG-UHFFFAOYSA-N
MW302.74 g/mol
LogP1.79
Rot. Bonds4

About 4-chloro-1-(3,4-dimethoxyphenyl)sulfonylpyrazole

4-chloro-1-(3,4-dimethoxyphenyl)sulfonylpyrazole (PubChem CID 22200771) has the molecular formula C11H11ClN2O4S and a molecular weight of 302.74 g/mol. Its IUPAC name is 4-chloro-1-(3,4-dimethoxyphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name4-chloro-1-(3,4-dimethoxyphenyl)sulfonylpyrazole
PubChem CID22200771
Molecular FormulaC11H11ClN2O4S
Molecular Weight302.74 g/mol
Exact Mass302.01
IUPAC Name4-chloro-1-(3,4-dimethoxyphenyl)sulfonylpyrazole
SMILESCOc1ccc(S(=O)(=O)n2cc(Cl)cn2)cc1OC
InChIInChI=1S/C11H11ClN2O4S/c1-17-10-4-3-9(5-11(10)18-2)19(15,16)14-7-8(12)6-13-14/h3-7H,1-2H3
InChIKeyPQQIKVZBAHIHNG-UHFFFAOYSA-N
XLogP1.79
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-Dimethoxyphenyl)sulfonylpyrazole
CID 646938
1-(3,4-Dimethoxyphenyl)sulfonyl-4-nitropyrazole
CID 778404
1-(3,4-Dimethoxyphenyl)sulfonylpyrazole
CID 778403
1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazole
CID 844644
1-(4-Ethoxyphenyl)sulfonylpyrazole
CID 6463761
1-(4-fluoro-3-methoxybenzenesulfonyl)-1H-pyrazole
CID 6499730
2-fluoro-4,5-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 35311780
2-fluoro-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61004774
4-chloro-1-[(3,4-dimethoxyphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 5299068
3,4-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22771389
1-(4-iodo-3-methoxybenzenesulfonyl)-1H-pyrazole
CID 24283250
1-(4-chloro-3-methoxybenzenesulfonyl)-1H-pyrazole
CID 6462208

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3,4-dimethoxyphenyl)sulfonylpyrazole?
The IUPAC name of 4-chloro-1-(3,4-dimethoxyphenyl)sulfonylpyrazole (CID 22200771) is 4-chloro-1-(3,4-dimethoxyphenyl)sulfonylpyrazole.
What is the SMILES notation for 4-chloro-1-(3,4-dimethoxyphenyl)sulfonylpyrazole?
The canonical SMILES for 4-chloro-1-(3,4-dimethoxyphenyl)sulfonylpyrazole is COc1ccc(S(=O)(=O)n2cc(Cl)cn2)cc1OC.
What is the InChIKey of 4-chloro-1-(3,4-dimethoxyphenyl)sulfonylpyrazole?
The InChIKey is PQQIKVZBAHIHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4S/c1-17-10-4-3-9(5-11(10)18-2)19(15,16)14-7-8(12)6-13-14/h3-7H,1-2H3.
What are the key properties of 4-chloro-1-(3,4-dimethoxyphenyl)sulfonylpyrazole?
4-chloro-1-(3,4-dimethoxyphenyl)sulfonylpyrazole has a molecular weight of 302.74 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3,4-dimethoxyphenyl)sulfonylpyrazole is sourced from PubChem (CID 22200771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).