N-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide

C11H14N4O3S — CID 102690536

IUPACN-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide
SMILESNc1ccccc1N(CCO)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H14N4O3S/c12-9-3-1-2-4-10(9)15(7-8-16)19(17,18)11-5-6-13-14-11/h1-6,16H,7-8,12H2,(H,13,14)
InChIKeyJNWLITWQWQNTMY-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.18
Rot. Bonds5

About N-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide

N-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102690536) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide
PubChem CID102690536
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC NameN-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide
SMILESNc1ccccc1N(CCO)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H14N4O3S/c12-9-3-1-2-4-10(9)15(7-8-16)19(17,18)11-5-6-13-14-11/h1-6,16H,7-8,12H2,(H,13,14)
InChIKeyJNWLITWQWQNTMY-UHFFFAOYSA-N
XLogP0.18
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43550537
N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43550518
N-(2-aminophenyl)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 43550546
N-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43550531
N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 43550524
1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene
CID 114804521
N-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690477
methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate
CID 114461612
N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690466
3-[2-amino-N-(1H-pyrazol-4-ylsulfonyl)anilino]propanoic acid
CID 63118504
N-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 63230617
N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102995753

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide (CID 102690536) is N-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide is Nc1ccccc1N(CCO)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is JNWLITWQWQNTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c12-9-3-1-2-4-10(9)15(7-8-16)19(17,18)11-5-6-13-14-11/h1-6,16H,7-8,12H2,(H,13,14).
What are the key properties of N-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide?
N-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 282.32 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102690536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).