1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide

C11H9ClN4O2S — CID 116647231

IUPAC1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide
SMILESCc1nn(-c2cccc(Cl)c2)c(S(N)(=O)=O)c1C#N
InChIInChI=1S/C11H9ClN4O2S/c1-7-10(6-13)11(19(14,17)18)16(15-7)9-4-2-3-8(12)5-9/h2-5H,1H3,(H2,14,17,18)
InChIKeyGBEVYHFSONJZPY-UHFFFAOYSA-N
MW296.74 g/mol
LogP1.35
Rot. Bonds2

About 1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide

1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide (PubChem CID 116647231) has the molecular formula C11H9ClN4O2S and a molecular weight of 296.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide
PubChem CID116647231
Molecular FormulaC11H9ClN4O2S
Molecular Weight296.74 g/mol
Exact Mass296.01
IUPAC Name1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide
SMILESCc1nn(-c2cccc(Cl)c2)c(S(N)(=O)=O)c1C#N
InChIInChI=1S/C11H9ClN4O2S/c1-7-10(6-13)11(19(14,17)18)16(15-7)9-4-2-3-8(12)5-9/h2-5H,1H3,(H2,14,17,18)
InChIKeyGBEVYHFSONJZPY-UHFFFAOYSA-N
XLogP1.35
TPSA101.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide (CID 116647231) is 1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide is Cc1nn(-c2cccc(Cl)c2)c(S(N)(=O)=O)c1C#N.
What is the InChIKey of 1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide?
The InChIKey is GBEVYHFSONJZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2S/c1-7-10(6-13)11(19(14,17)18)16(15-7)9-4-2-3-8(12)5-9/h2-5H,1H3,(H2,14,17,18).
What are the key properties of 1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide?
1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide has a molecular weight of 296.74 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 116647231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).