5-(chloromethyl)-1,3-dimethylpyrazole-4-sulfonamide

C6H10ClN3O2S — CID 138991380

IUPAC5-(chloromethyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(CCl)c1S(N)(=O)=O
InChIInChI=1S/C6H10ClN3O2S/c1-4-6(13(8,11)12)5(3-7)10(2)9-4/h3H2,1-2H3,(H2,8,11,12)
InChIKeyFOAJTDVEROXWOV-UHFFFAOYSA-N
MW223.68 g/mol
LogP0.11
Rot. Bonds2

About 5-(chloromethyl)-1,3-dimethylpyrazole-4-sulfonamide

5-(chloromethyl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 138991380) has the molecular formula C6H10ClN3O2S and a molecular weight of 223.68 g/mol. Its IUPAC name is 5-(chloromethyl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-(chloromethyl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID138991380
Molecular FormulaC6H10ClN3O2S
Molecular Weight223.68 g/mol
Exact Mass223.02
IUPAC Name5-(chloromethyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(CCl)c1S(N)(=O)=O
InChIInChI=1S/C6H10ClN3O2S/c1-4-6(13(8,11)12)5(3-7)10(2)9-4/h3H2,1-2H3,(H2,8,11,12)
InChIKeyFOAJTDVEROXWOV-UHFFFAOYSA-N
XLogP0.11
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-(chloromethyl)-1,3-dimethylpyrazole-4-sulfonamide (CID 138991380) is 5-(chloromethyl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-(chloromethyl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-(chloromethyl)-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)c(CCl)c1S(N)(=O)=O.
What is the InChIKey of 5-(chloromethyl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is FOAJTDVEROXWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3O2S/c1-4-6(13(8,11)12)5(3-7)10(2)9-4/h3H2,1-2H3,(H2,8,11,12).
What are the key properties of 5-(chloromethyl)-1,3-dimethylpyrazole-4-sulfonamide?
5-(chloromethyl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 223.68 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 138991380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).