4-(chloromethyl)-1-methylpyrazole-5-sulfonamide

C5H8ClN3O2S — CID 14049167

IUPAC4-(chloromethyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(CCl)c1S(N)(=O)=O
InChIInChI=1S/C5H8ClN3O2S/c1-9-5(12(7,10)11)4(2-6)3-8-9/h3H,2H2,1H3,(H2,7,10,11)
InChIKeyYSCBXDDMAQRWHF-UHFFFAOYSA-N
MW209.66 g/mol
LogP-0.19
Rot. Bonds2

About 4-(chloromethyl)-1-methylpyrazole-5-sulfonamide

4-(chloromethyl)-1-methylpyrazole-5-sulfonamide (PubChem CID 14049167) has the molecular formula C5H8ClN3O2S and a molecular weight of 209.66 g/mol. Its IUPAC name is 4-(chloromethyl)-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(chloromethyl)-1-methylpyrazole-5-sulfonamide
PubChem CID14049167
Molecular FormulaC5H8ClN3O2S
Molecular Weight209.66 g/mol
Exact Mass209.00
IUPAC Name4-(chloromethyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(CCl)c1S(N)(=O)=O
InChIInChI=1S/C5H8ClN3O2S/c1-9-5(12(7,10)11)4(2-6)3-8-9/h3H,2H2,1H3,(H2,7,10,11)
InChIKeyYSCBXDDMAQRWHF-UHFFFAOYSA-N
XLogP-0.19
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.66
LogP ≤ 5-0.19
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 4-(chloromethyl)-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-(chloromethyl)-1-methylpyrazole-5-sulfonamide (CID 14049167) is 4-(chloromethyl)-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-(chloromethyl)-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-(chloromethyl)-1-methylpyrazole-5-sulfonamide is Cn1ncc(CCl)c1S(N)(=O)=O.
What is the InChIKey of 4-(chloromethyl)-1-methylpyrazole-5-sulfonamide?
The InChIKey is YSCBXDDMAQRWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3O2S/c1-9-5(12(7,10)11)4(2-6)3-8-9/h3H,2H2,1H3,(H2,7,10,11).
What are the key properties of 4-(chloromethyl)-1-methylpyrazole-5-sulfonamide?
4-(chloromethyl)-1-methylpyrazole-5-sulfonamide has a molecular weight of 209.66 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 14049167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).