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

C19H15N3O3S2 — CID 42285475

IUPACN-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C19H15N3O3S2/c23-16-10-8-14(9-11-16)21-27(24,25)18-13-22(15-5-2-1-3-6-15)20-19(18)17-7-4-12-26-17/h1-13,21,23H
InChIKeyZTOMHTBFLPTAFK-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.11
Rot. Bonds5

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

N-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42285475) has the molecular formula C19H15N3O3S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42285475
Molecular FormulaC19H15N3O3S2
Molecular Weight397.48 g/mol
Exact Mass397.06
IUPAC NameN-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C19H15N3O3S2/c23-16-10-8-14(9-11-16)21-27(24,25)18-13-22(15-5-2-1-3-6-15)20-19(18)17-7-4-12-26-17/h1-13,21,23H
InChIKeyZTOMHTBFLPTAFK-UHFFFAOYSA-N
XLogP4.11
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.11
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-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285261
N-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42352230
N-(2,5-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42352236
N-(4-anilinophenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285313
N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285510
1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42285114
N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285273
N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351821
N-(4-acetylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285268
(E)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 75535278
1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
CID 42352164
4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 42351856

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42285475) is N-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide is O=S(=O)(Nc1ccc(O)cc1)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is ZTOMHTBFLPTAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S2/c23-16-10-8-14(9-11-16)21-27(24,25)18-13-22(15-5-2-1-3-6-15)20-19(18)17-7-4-12-26-17/h1-13,21,23H.
What are the key properties of N-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 397.48 g/mol, XLogP of 4.11, 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-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42285475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).