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

C16H17N3O3S2 — CID 42285261

IUPACN-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)Nc2ccc(O)cc2)c(-c2cccs2)n1
InChIInChI=1S/C16H17N3O3S2/c1-11(2)19-10-15(16(17-19)14-4-3-9-23-14)24(21,22)18-12-5-7-13(20)8-6-12/h3-11,18,20H,1-2H3
InChIKeyGATQKBZXVREWHZ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.70
Rot. Bonds5

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

N-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42285261) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42285261
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC NameN-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)Nc2ccc(O)cc2)c(-c2cccs2)n1
InChIInChI=1S/C16H17N3O3S2/c1-11(2)19-10-15(16(17-19)14-4-3-9-23-14)24(21,22)18-12-5-7-13(20)8-6-12/h3-11,18,20H,1-2H3
InChIKeyGATQKBZXVREWHZ-UHFFFAOYSA-N
XLogP3.70
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285268
N-(4-anilinophenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285313
N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285273
N-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350500
N-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285475
N-(1,3-benzodioxol-5-yl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285285
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-(2,2-diethoxyethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350258
N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350047
N-cyclohexyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350287
N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285299

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42285261) is N-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)Nc2ccc(O)cc2)c(-c2cccs2)n1.
What is the InChIKey of N-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is GATQKBZXVREWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-11(2)19-10-15(16(17-19)14-4-3-9-23-14)24(21,22)18-12-5-7-13(20)8-6-12/h3-11,18,20H,1-2H3.
What are the key properties of N-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 363.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42285261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).