1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide

C7H12ClN3O3S — CID 63664953

IUPAC1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide
SMILESCOCCn1cc(NS(=O)(=O)CCl)cn1
InChIInChI=1S/C7H12ClN3O3S/c1-14-3-2-11-5-7(4-9-11)10-15(12,13)6-8/h4-5,10H,2-3,6H2,1H3
InChIKeyWVJCHIZIQHQAAA-UHFFFAOYSA-N
MW253.71 g/mol
LogP0.47
Rot. Bonds6

About 1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide

1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide (PubChem CID 63664953) has the molecular formula C7H12ClN3O3S and a molecular weight of 253.71 g/mol. Its IUPAC name is 1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide
PubChem CID63664953
Molecular FormulaC7H12ClN3O3S
Molecular Weight253.71 g/mol
Exact Mass253.03
IUPAC Name1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide
SMILESCOCCn1cc(NS(=O)(=O)CCl)cn1
InChIInChI=1S/C7H12ClN3O3S/c1-14-3-2-11-5-7(4-9-11)10-15(12,13)6-8/h4-5,10H,2-3,6H2,1H3
InChIKeyWVJCHIZIQHQAAA-UHFFFAOYSA-N
XLogP0.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid
CID 55009982
2-amino-5-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-sulfonamide
CID 62153432
3-hydrazinyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-2-sulfonamide
CID 103301171
N-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide
CID 154838624
1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine
CID 43729075
2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine
CID 103388669
1-(2-methoxyethyl)-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine
CID 107235162
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole
CID 144516291
5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43728868
3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428582

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide (CID 63664953) is 1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide is COCCn1cc(NS(=O)(=O)CCl)cn1.
What is the InChIKey of 1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide?
The InChIKey is WVJCHIZIQHQAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O3S/c1-14-3-2-11-5-7(4-9-11)10-15(12,13)6-8/h4-5,10H,2-3,6H2,1H3.
What are the key properties of 1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide?
1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide has a molecular weight of 253.71 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide is sourced from PubChem (CID 63664953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).