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

C7H12ClN3O2S — CID 65033783

IUPACN-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
SMILESCC(Cl)CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C7H12ClN3O2S/c1-6(8)3-10-14(12,13)7-4-9-11(2)5-7/h4-6,10H,3H2,1-2H3
InChIKeyFRTDCUXDNWQYQL-UHFFFAOYSA-N
MW237.71 g/mol
LogP0.33
Rot. Bonds4

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

N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 65033783) has the molecular formula C7H12ClN3O2S and a molecular weight of 237.71 g/mol. Its IUPAC name is N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
PubChem CID65033783
Molecular FormulaC7H12ClN3O2S
Molecular Weight237.71 g/mol
Exact Mass237.03
IUPAC NameN-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
SMILESCC(Cl)CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C7H12ClN3O2S/c1-6(8)3-10-14(12,13)7-4-9-11(2)5-7/h4-6,10H,3H2,1-2H3
InChIKeyFRTDCUXDNWQYQL-UHFFFAOYSA-N
XLogP0.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 50.33
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-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide
CID 65032541
N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide
CID 63765093
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
CID 63298486
2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride
CID 81358188
N-[(2S)-2-benzyl-3-methylbutyl]-1-methylpyrazole-4-sulfonamide
CID 124864282
N-[(2R)-2-benzyl-3-methylbutyl]-1-methylpyrazole-4-sulfonamide
CID 124864281
N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide
CID 115638532
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
CID 99711424
N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide
CID 107849199
N-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide
CID 163248040
1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114616511

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide (CID 65033783) is N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide is CC(Cl)CNS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is FRTDCUXDNWQYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O2S/c1-6(8)3-10-14(12,13)7-4-9-11(2)5-7/h4-6,10H,3H2,1-2H3.
What are the key properties of N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide?
N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 237.71 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 65033783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).