N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide

C8H14ClN3O2S — CID 65032541

IUPACN-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide
SMILESCC(Cl)CCNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C8H14ClN3O2S/c1-7(9)3-4-11-15(13,14)8-5-10-12(2)6-8/h5-7,11H,3-4H2,1-2H3
InChIKeyIKQBAFQAOSUDQN-UHFFFAOYSA-N
MW251.74 g/mol
LogP0.72
Rot. Bonds5

About N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide

N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 65032541) has the molecular formula C8H14ClN3O2S and a molecular weight of 251.74 g/mol. Its IUPAC name is N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide
PubChem CID65032541
Molecular FormulaC8H14ClN3O2S
Molecular Weight251.74 g/mol
Exact Mass251.05
IUPAC NameN-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide
SMILESCC(Cl)CCNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C8H14ClN3O2S/c1-7(9)3-4-11-15(13,14)8-5-10-12(2)6-8/h5-7,11H,3-4H2,1-2H3
InChIKeyIKQBAFQAOSUDQN-UHFFFAOYSA-N
XLogP0.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 50.72
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-chloropropyl)-1-methylpyrazole-4-sulfonamide
CID 65033783
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride
CID 81358188
N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide
CID 107849199
1-methyl-N-(2-sulfamoylethyl)pyrazole-4-sulfonamide
CID 62063368
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
N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide
CID 107322883
N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide
CID 99997051
4-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361171
N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide
CID 115638532
5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 62033979

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide (CID 65032541) is N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide is CC(Cl)CCNS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is IKQBAFQAOSUDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O2S/c1-7(9)3-4-11-15(13,14)8-5-10-12(2)6-8/h5-7,11H,3-4H2,1-2H3.
What are the key properties of N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide?
N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 251.74 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 65032541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).