3-amino-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C13H18N4O2S — CID 61110211

IUPAC3-amino-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C13H18N4O2S/c1-8-11(14)6-5-7-12(8)20(18,19)16-13-9(2)15-17(4)10(13)3/h5-7,16H,14H2,1-4H3
InChIKeyYDZFSKXHNIZLQY-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.73
Rot. Bonds3

About 3-amino-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

3-amino-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 61110211) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID61110211
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name3-amino-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C13H18N4O2S/c1-8-11(14)6-5-7-12(8)20(18,19)16-13-9(2)15-17(4)10(13)3/h5-7,16H,14H2,1-4H3
InChIKeyYDZFSKXHNIZLQY-UHFFFAOYSA-N
XLogP1.73
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.73
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

N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 6499783
3,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 8124894
2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 16377462
US9156811, Ddd88191
CID 58561258
US9156811, Ddd99758
CID 58561292
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-methylbenzenesulfonamide
CID 6499784
N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 804168
4-ethyl-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 895190
US9156811, Ddd100093
CID 58561177
US9156811, Ddd99825
CID 58561213
US9156811, Ddd90145
CID 58561231
US9156811, Ddd88560
CID 58561234

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 61110211) is 3-amino-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is YDZFSKXHNIZLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-8-11(14)6-5-7-12(8)20(18,19)16-13-9(2)15-17(4)10(13)3/h5-7,16H,14H2,1-4H3.
What are the key properties of 3-amino-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
3-amino-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 61110211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).