5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide

C13H18N4O2S — CID 107462000

IUPAC5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C13H18N4O2S/c1-4-11-12(8-17(3)15-11)16-20(18,19)13-7-10(14)6-5-9(13)2/h5-8,16H,4,14H2,1-3H3
InChIKeyPNDBCOUDEOYSJT-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.67
Rot. Bonds4

About 5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide

5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide (PubChem CID 107462000) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide
PubChem CID107462000
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C13H18N4O2S/c1-4-11-12(8-17(3)15-11)16-20(18,19)13-7-10(14)6-5-9(13)2/h5-8,16H,4,14H2,1-3H3
InChIKeyPNDBCOUDEOYSJT-UHFFFAOYSA-N
XLogP1.67
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462077
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 107461994
4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462048
5-amino-2-chloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803345
5-amino-2-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803498
4-amino-3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107463815
5-(2-aminoethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide
CID 107463808
5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 103908024
3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine
CID 112668268
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 107462034
3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462568
3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]pyridine-2-carbothioamide
CID 107463285

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide (CID 107462000) is 5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide is CCc1nn(C)cc1NS(=O)(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide?
The InChIKey is PNDBCOUDEOYSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-4-11-12(8-17(3)15-11)16-20(18,19)13-7-10(14)6-5-9(13)2/h5-8,16H,4,14H2,1-3H3.
What are the key properties of 5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide?
5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 107462000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).