N-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide

C19H21N3O4S — CID 42349187

IUPACN-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide
SMILESO=S(=O)(NCCOCCO)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H21N3O4S/c23-12-14-26-13-11-20-27(24,25)18-15-22(17-9-5-2-6-10-17)21-19(18)16-7-3-1-4-8-16/h1-10,15,20,23H,11-14H2
InChIKeyMPNDLENCWPHPAD-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.83
Rot. Bonds9

About N-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide

N-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide (PubChem CID 42349187) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide
PubChem CID42349187
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide
SMILESO=S(=O)(NCCOCCO)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H21N3O4S/c23-12-14-26-13-11-20-27(24,25)18-15-22(17-9-5-2-6-10-17)21-19(18)16-7-3-1-4-8-16/h1-10,15,20,23H,11-14H2
InChIKeyMPNDLENCWPHPAD-UHFFFAOYSA-N
XLogP1.83
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1,3-diphenylpyrazole-4-sulfonamide
CID 42349141
2-[2-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylamino]ethoxy]ethanol
CID 119108720
N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide
CID 42349444
1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 42348986
N-cyclohexyl-N-(2-hydroxyethyl)-1,3-diphenylpyrazole-4-sulfonamide
CID 42349121
N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22203873
1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42285114
methyl 1-(1,3-diphenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 42349018
N-[2-(dimethylamino)ethyl]-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346316
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-nitrobenzenesulfonamide
CID 22203897
3-tert-butyl-N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283804
N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide
CID 42348958

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide (CID 42349187) is N-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide is O=S(=O)(NCCOCCO)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide?
The InChIKey is MPNDLENCWPHPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c23-12-14-26-13-11-20-27(24,25)18-15-22(17-9-5-2-6-10-17)21-19(18)16-7-3-1-4-8-16/h1-10,15,20,23H,11-14H2.
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide?
N-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide has a molecular weight of 387.46 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42349187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).