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

C14H18ClN3O2S — CID 19680760

IUPACN-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NCCc2ccc(Cl)cc2)c1C
InChIInChI=1S/C14H18ClN3O2S/c1-3-18-11(2)14(10-16-18)21(19,20)17-9-8-12-4-6-13(15)7-5-12/h4-7,10,17H,3,8-9H2,1-2H3
InChIKeyBEURFPNMZQFESP-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.39
Rot. Bonds6

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

N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide (PubChem CID 19680760) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
PubChem CID19680760
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NCCc2ccc(Cl)cc2)c1C
InChIInChI=1S/C14H18ClN3O2S/c1-3-18-11(2)14(10-16-18)21(19,20)17-9-8-12-4-6-13(15)7-5-12/h4-7,10,17H,3,8-9H2,1-2H3
InChIKeyBEURFPNMZQFESP-UHFFFAOYSA-N
XLogP2.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-chlorophenyl)ethyl]-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

Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 19680759
1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide
CID 19681472
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 17022917
N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 19680642
1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 19682093
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22773468
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 63666784
N-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 46345208
N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 7436894
5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 57430116

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide (CID 19680760) is N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)NCCc2ccc(Cl)cc2)c1C.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The InChIKey is BEURFPNMZQFESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-3-18-11(2)14(10-16-18)21(19,20)17-9-8-12-4-6-13(15)7-5-12/h4-7,10,17H,3,8-9H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide has a molecular weight of 327.84 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 19680760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).