4-chloro-1-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-5-sulfonamide

C11H19ClN4O3S — CID 106315276

IUPAC4-chloro-1-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCCOC1CCNCC1
InChIInChI=1S/C11H19ClN4O3S/c1-16-11(10(12)8-14-16)20(17,18)15-6-7-19-9-2-4-13-5-3-9/h8-9,13,15H,2-7H2,1H3
InChIKeyPOCKGEFMKLSEJU-UHFFFAOYSA-N
MW322.82 g/mol
LogP0.12
Rot. Bonds6

About 4-chloro-1-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-5-sulfonamide

4-chloro-1-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-5-sulfonamide (PubChem CID 106315276) has the molecular formula C11H19ClN4O3S and a molecular weight of 322.82 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-5-sulfonamide
PubChem CID106315276
Molecular FormulaC11H19ClN4O3S
Molecular Weight322.82 g/mol
Exact Mass322.09
IUPAC Name4-chloro-1-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCCOC1CCNCC1
InChIInChI=1S/C11H19ClN4O3S/c1-16-11(10(12)8-14-16)20(17,18)15-6-7-19-9-2-4-13-5-3-9/h8-9,13,15H,2-7H2,1H3
InChIKeyPOCKGEFMKLSEJU-UHFFFAOYSA-N
XLogP0.12
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide
CID 106315491
4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide
CID 106316125
4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide
CID 114172502
N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 63871314
4-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-5-sulfonamide
CID 106314920
4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
CID 63870153
4-chloro-N-[(3-chlorocyclobutyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106315973
4-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106150733
4-chloro-N-(4-cyanobutyl)-1-methylpyrazole-5-sulfonamide
CID 106150633
4-chloro-N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106315562
2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 106314134
2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 106314133

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-1-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-5-sulfonamide (CID 106315276) is 4-chloro-1-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-1-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NCCOC1CCNCC1.
What is the InChIKey of 4-chloro-1-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-5-sulfonamide?
The InChIKey is POCKGEFMKLSEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O3S/c1-16-11(10(12)8-14-16)20(17,18)15-6-7-19-9-2-4-13-5-3-9/h8-9,13,15H,2-7H2,1H3.
What are the key properties of 4-chloro-1-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-5-sulfonamide?
4-chloro-1-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-5-sulfonamide has a molecular weight of 322.82 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-5-sulfonamide is sourced from PubChem (CID 106315276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).