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

C14H20N4O2S — CID 103287594

IUPAC5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylbenzenesulfonamide
SMILESCCc1c(C)nn(-c2ccc(N)cc2S(=O)(=O)NC)c1C
InChIInChI=1S/C14H20N4O2S/c1-5-12-9(2)17-18(10(12)3)13-7-6-11(15)8-14(13)21(19,20)16-4/h6-8,16H,5,15H2,1-4H3
InChIKeyKYJAUOKAARHREY-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.54
Rot. Bonds4

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

5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylbenzenesulfonamide (PubChem CID 103287594) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylbenzenesulfonamide
PubChem CID103287594
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylbenzenesulfonamide
SMILESCCc1c(C)nn(-c2ccc(N)cc2S(=O)(=O)NC)c1C
InChIInChI=1S/C14H20N4O2S/c1-5-12-9(2)17-18(10(12)3)13-7-6-11(15)8-14(13)21(19,20)16-4/h6-8,16H,5,15H2,1-4H3
InChIKeyKYJAUOKAARHREY-UHFFFAOYSA-N
XLogP1.54
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.54
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

5-amino-2-(4,5-dimethylimidazol-1-yl)-N-methylbenzenesulfonamide
CID 103287604
5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide
CID 61312649
ethyl 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzoate
CID 61311892
5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 114844619
5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide
CID 103286986
5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide
CID 103287840
5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide
CID 103505188
5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide
CID 103287638
5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 103286576
[3-bromo-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]methanamine
CID 82797008
5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 103287216
1-[5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]butan-2-amine
CID 114862477

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylbenzenesulfonamide (CID 103287594) is 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylbenzenesulfonamide is CCc1c(C)nn(-c2ccc(N)cc2S(=O)(=O)NC)c1C.
What is the InChIKey of 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is KYJAUOKAARHREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-5-12-9(2)17-18(10(12)3)13-7-6-11(15)8-14(13)21(19,20)16-4/h6-8,16H,5,15H2,1-4H3.
What are the key properties of 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylbenzenesulfonamide?
5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103287594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).