N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide

C22H21N3O3S2 — CID 42285273

IUPACN-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c(-c2cccs2)n1
InChIInChI=1S/C22H21N3O3S2/c1-16(2)25-15-21(22(23-25)20-9-6-14-29-20)30(26,27)24-17-10-12-19(13-11-17)28-18-7-4-3-5-8-18/h3-16,24H,1-2H3
InChIKeyIKSWLEPEUKKELC-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.79
Rot. Bonds7

About N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide

N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42285273) has the molecular formula C22H21N3O3S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42285273
Molecular FormulaC22H21N3O3S2
Molecular Weight439.56 g/mol
Exact Mass439.10
IUPAC NameN-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c(-c2cccs2)n1
InChIInChI=1S/C22H21N3O3S2/c1-16(2)25-15-21(22(23-25)20-9-6-14-29-20)30(26,27)24-17-10-12-19(13-11-17)28-18-7-4-3-5-8-18/h3-16,24H,1-2H3
InChIKeyIKSWLEPEUKKELC-UHFFFAOYSA-N
XLogP5.79
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-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

N-(4-anilinophenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285313
N-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285261
N-(4-acetylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285268
3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282486
N-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350500
N-(1,3-benzodioxol-5-yl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285285
N-(2,2-diethoxyethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350258
N-cyclopropyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350557
N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350218
N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350047
N-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285475
N-cyclohexyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350287

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42285273) is N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c(-c2cccs2)n1.
What is the InChIKey of N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is IKSWLEPEUKKELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S2/c1-16(2)25-15-21(22(23-25)20-9-6-14-29-20)30(26,27)24-17-10-12-19(13-11-17)28-18-7-4-3-5-8-18/h3-16,24H,1-2H3.
What are the key properties of N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 439.56 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42285273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).