N-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide

C13H16ClN3O2S — CID 6466638

IUPACN-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NCc2ccccc2Cl)c1C
InChIInChI=1S/C13H16ClN3O2S/c1-3-17-10(2)13(9-15-17)20(18,19)16-8-11-6-4-5-7-12(11)14/h4-7,9,16H,3,8H2,1-2H3
InChIKeyPPWSZAMRAFADPP-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.34
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide

N-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide (PubChem CID 6466638) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
PubChem CID6466638
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC NameN-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NCc2ccccc2Cl)c1C
InChIInChI=1S/C13H16ClN3O2S/c1-3-17-10(2)13(9-15-17)20(18,19)16-8-11-6-4-5-7-12(11)14/h4-7,9,16H,3,8H2,1-2H3
InChIKeyPPWSZAMRAFADPP-UHFFFAOYSA-N
XLogP2.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorophenyl)methyl]-1-ethyl-5-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

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide (CID 6466638) is N-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)NCc2ccccc2Cl)c1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The InChIKey is PPWSZAMRAFADPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-3-17-10(2)13(9-15-17)20(18,19)16-8-11-6-4-5-7-12(11)14/h4-7,9,16H,3,8H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
N-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 6466638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).