3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide

C13H18N4O3S — CID 107462034

IUPAC3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C13H18N4O3S/c1-4-11-12(8-17(2)15-11)16-21(18,19)9-5-6-13(20-3)10(14)7-9/h5-8,16H,4,14H2,1-3H3
InChIKeyIMDOWQNUYDRUDE-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.37
Rot. Bonds5

About 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide

3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide (PubChem CID 107462034) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide
PubChem CID107462034
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C13H18N4O3S/c1-4-11-12(8-17(2)15-11)16-21(18,19)9-5-6-13(20-3)10(14)7-9/h5-8,16H,4,14H2,1-3H3
InChIKeyIMDOWQNUYDRUDE-UHFFFAOYSA-N
XLogP1.37
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107463815
5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 103908024
3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 107462572
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide
CID 107462605
4-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]benzenecarbothioamide
CID 107463279
N-(3-ethyl-1-methylpyrazol-4-yl)-4-(2-hydroxyethyl)benzenesulfonamide
CID 106000585
5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 107462000
N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 107464429
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462048
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 107461994
3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 28528828

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide (CID 107462034) is 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide is CCc1nn(C)cc1NS(=O)(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide?
The InChIKey is IMDOWQNUYDRUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-4-11-12(8-17(2)15-11)16-21(18,19)9-5-6-13(20-3)10(14)7-9/h5-8,16H,4,14H2,1-3H3.
What are the key properties of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide?
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 107462034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).