N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide

C6H10ClN3O2S — CID 62062630

IUPACN-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCCl)cn1
InChIInChI=1S/C6H10ClN3O2S/c1-10-5-6(4-8-10)13(11,12)9-3-2-7/h4-5,9H,2-3H2,1H3
InChIKeyKNOXMYHELMKJSZ-UHFFFAOYSA-N
MW223.68 g/mol
LogP-0.06
Rot. Bonds4

About N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide

N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 62062630) has the molecular formula C6H10ClN3O2S and a molecular weight of 223.68 g/mol. Its IUPAC name is N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
PubChem CID62062630
Molecular FormulaC6H10ClN3O2S
Molecular Weight223.68 g/mol
Exact Mass223.02
IUPAC NameN-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCCl)cn1
InChIInChI=1S/C6H10ClN3O2S/c1-10-5-6(4-8-10)13(11,12)9-3-2-7/h4-5,9H,2-3H2,1H3
InChIKeyKNOXMYHELMKJSZ-UHFFFAOYSA-N
XLogP-0.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 5-0.06
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-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide
CID 107849199
2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride
CID 81358188
N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide
CID 65032541
1-methyl-N-(2-sulfamoylethyl)pyrazole-4-sulfonamide
CID 62063368
N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
CID 65033783
N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide
CID 107322883
4-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361171
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 115456681
N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide
CID 115638532
5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 62033979
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 94025310
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 113285935

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide (CID 62062630) is N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCCCl)cn1.
What is the InChIKey of N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is KNOXMYHELMKJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3O2S/c1-10-5-6(4-8-10)13(11,12)9-3-2-7/h4-5,9H,2-3H2,1H3.
What are the key properties of N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide?
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 223.68 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 62062630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).