N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide

C7H10ClN3O2S — CID 115638532

IUPACN-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide
SMILESC=C(Cl)CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C7H10ClN3O2S/c1-6(8)3-10-14(12,13)7-4-9-11(2)5-7/h4-5,10H,1,3H2,2H3
InChIKeyLSXCHLUCKUOCEP-UHFFFAOYSA-N
MW235.70 g/mol
LogP0.45
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide

N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 115638532) has the molecular formula C7H10ClN3O2S and a molecular weight of 235.70 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide
PubChem CID115638532
Molecular FormulaC7H10ClN3O2S
Molecular Weight235.70 g/mol
Exact Mass235.02
IUPAC NameN-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide
SMILESC=C(Cl)CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C7H10ClN3O2S/c1-6(8)3-10-14(12,13)7-4-9-11(2)5-7/h4-5,10H,1,3H2,2H3
InChIKeyLSXCHLUCKUOCEP-UHFFFAOYSA-N
XLogP0.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114616511
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
N-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide
CID 62498133
N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
CID 65033783
2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride
CID 81358188
4-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361171
2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid
CID 119348503
5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 62033979
N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide
CID 107849199
N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide
CID 65032541
1-methyl-N-(2-sulfamoylethyl)pyrazole-4-sulfonamide
CID 62063368
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 115456681

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide (CID 115638532) is N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide is C=C(Cl)CNS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is LSXCHLUCKUOCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2S/c1-6(8)3-10-14(12,13)7-4-9-11(2)5-7/h4-5,10H,1,3H2,2H3.
What are the key properties of N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide?
N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 235.70 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 115638532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).