3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

C12H16N4O2S — CID 61460006

IUPAC3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCn2cccn2)c1
InChIInChI=1S/C12H16N4O2S/c1-10-7-11(13)9-12(8-10)19(17,18)15-4-6-16-5-2-3-14-16/h2-3,5,7-9,15H,4,6,13H2,1H3
InChIKeyOEUYBCPMGILKAR-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.75
Rot. Bonds5

About 3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (PubChem CID 61460006) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
PubChem CID61460006
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCn2cccn2)c1
InChIInChI=1S/C12H16N4O2S/c1-10-7-11(13)9-12(8-10)19(17,18)15-4-6-16-5-2-3-14-16/h2-3,5,7-9,15H,4,6,13H2,1H3
InChIKeyOEUYBCPMGILKAR-UHFFFAOYSA-N
XLogP0.75
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.75
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

3-amino-5-methyl-N-pentylbenzenesulfonamide
CID 43256263
3-amino-4-hydroxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459596
5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459711
3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide
CID 43545886
3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 43255883
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61462673
4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716657
2-methoxy-4,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716631
3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 114379310
3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 54951763
5-amino-4-bromo-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 81396960
1-ethyl-4-(2-pyrazol-1-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 61462573

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (CID 61460006) is 3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NCCn2cccn2)c1.
What is the InChIKey of 3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The InChIKey is OEUYBCPMGILKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-10-7-11(13)9-12(8-10)19(17,18)15-4-6-16-5-2-3-14-16/h2-3,5,7-9,15H,4,6,13H2,1H3.
What are the key properties of 3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 61460006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).