N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide

C13H16ClN3O2S — CID 42282465

IUPACN-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H16ClN3O2S/c1-9(2)17-8-13(10(3)15-17)20(18,19)16-12-7-5-4-6-11(12)14/h4-9,16H,1-3H3
InChIKeyUGORSLWLQAYESZ-UHFFFAOYSA-N
MW313.81 g/mol
LogP3.23
Rot. Bonds4

About N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide

N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 42282465) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID42282465
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC NameN-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H16ClN3O2S/c1-9(2)17-8-13(10(3)15-17)20(18,19)16-12-7-5-4-6-11(12)14/h4-9,16H,1-3H3
InChIKeyUGORSLWLQAYESZ-UHFFFAOYSA-N
XLogP3.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-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

3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42282470
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282516
3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282457
3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282486
N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282469
N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282564
N-[3-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42282551
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282522
3-methyl-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 51598559
3-tert-butyl-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283900
methyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate
CID 42282484
3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide
CID 42282361

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide (CID 42282465) is N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide is Cc1nn(C(C)C)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is UGORSLWLQAYESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-9(2)17-8-13(10(3)15-17)20(18,19)16-12-7-5-4-6-11(12)14/h4-9,16H,1-3H3.
What are the key properties of N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 313.81 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).