N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide

C14H19N3O3S — CID 107464429

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1cccc(C(C)O)c1
InChIInChI=1S/C14H19N3O3S/c1-4-13-14(9-17(3)15-13)16-21(19,20)12-7-5-6-11(8-12)10(2)18/h5-10,16,18H,4H2,1-3H3
InChIKeyXYQARWMKDSQEKI-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.84
Rot. Bonds5

About N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide

N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide (PubChem CID 107464429) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide
PubChem CID107464429
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1cccc(C(C)O)c1
InChIInChI=1S/C14H19N3O3S/c1-4-13-14(9-17(3)15-13)16-21(19,20)12-7-5-6-11(8-12)10(2)18/h5-10,16,18H,4H2,1-3H3
InChIKeyXYQARWMKDSQEKI-UHFFFAOYSA-N
XLogP1.84
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462568
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide
CID 107462605
4-amino-3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107463815
N-(3-ethyl-1-methylpyrazol-4-yl)-4-(2-hydroxyethyl)benzenesulfonamide
CID 106000585
4-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]benzenecarbothioamide
CID 107463279
3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 107462572
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 107462034
3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 102810895
N-(2,3-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507509
N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090340
3-(1-hydroxyethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 42946409
N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507327

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide (CID 107464429) is N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide is CCc1nn(C)cc1NS(=O)(=O)c1cccc(C(C)O)c1.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide?
The InChIKey is XYQARWMKDSQEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-4-13-14(9-17(3)15-13)16-21(19,20)12-7-5-6-11(8-12)10(2)18/h5-10,16,18H,4H2,1-3H3.
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 107464429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).