4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide

C11H19Cl2N3O2S — CID 114172640

IUPAC4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCC(C)(C)CCCCl
InChIInChI=1S/C11H19Cl2N3O2S/c1-11(2,5-4-6-12)8-15-19(17,18)10-9(13)7-14-16(10)3/h7,15H,4-6,8H2,1-3H3
InChIKeyLYRJXAKFJUCKGX-UHFFFAOYSA-N
MW328.27 g/mol
LogP2.40
Rot. Bonds7

About 4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide

4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide (PubChem CID 114172640) has the molecular formula C11H19Cl2N3O2S and a molecular weight of 328.27 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide
PubChem CID114172640
Molecular FormulaC11H19Cl2N3O2S
Molecular Weight328.27 g/mol
Exact Mass327.06
IUPAC Name4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCC(C)(C)CCCCl
InChIInChI=1S/C11H19Cl2N3O2S/c1-11(2,5-4-6-12)8-15-19(17,18)10-9(13)7-14-16(10)3/h7,15H,4-6,8H2,1-3H3
InChIKeyLYRJXAKFJUCKGX-UHFFFAOYSA-N
XLogP2.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloroethyl)pentyl]-2-methylpyrazole-3-sulfonamide
CID 106118307
N-(4-chloropentyl)-2-methylpyrazole-3-sulfonamide
CID 106135422
N-(4-chloro-2,2-dimethylbutyl)-2-methylpyrazole-3-sulfonamide
CID 106145933
N-(4-chloro-2,2-dimethylbutyl)-1-methylpyrazole-4-sulfonamide
CID 106146059
4-chloro-N-cyclohexyl-1-methylpyrazole-5-sulfonamide
CID 106150553
4-chloro-N,1-dimethylpyrazole-5-sulfonamide
CID 106150560
4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide
CID 106150561
4-chloro-1-methyl-N-(2-methylpropyl)pyrazole-5-sulfonamide
CID 106150564
4-chloro-N-cyclopentyl-1-methylpyrazole-5-sulfonamide
CID 106150565
4-chloro-1-methyl-N-propylpyrazole-5-sulfonamide
CID 106150568
4-chloro-N-(2-ethylbutyl)-1-methylpyrazole-5-sulfonamide
CID 106150634
4-chloro-N-(2-chloroprop-2-enyl)-1-methylpyrazole-5-sulfonamide
CID 106150652

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide (CID 114172640) is 4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NCC(C)(C)CCCCl.
What is the InChIKey of 4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide?
The InChIKey is LYRJXAKFJUCKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl2N3O2S/c1-11(2,5-4-6-12)8-15-19(17,18)10-9(13)7-14-16(10)3/h7,15H,4-6,8H2,1-3H3.
What are the key properties of 4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide?
4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide has a molecular weight of 328.27 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 114172640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).