3-amino-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide

C13H18N4O2S — CID 62902814

IUPAC3-amino-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cnn(C(C)C)c2)c1
InChIInChI=1S/C13H18N4O2S/c1-9(2)17-8-12(7-15-17)16-20(18,19)13-5-10(3)4-11(14)6-13/h4-9,16H,14H2,1-3H3
InChIKeyJVKWTBZONXAJDL-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.16
Rot. Bonds4

About 3-amino-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide

3-amino-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide (PubChem CID 62902814) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide
PubChem CID62902814
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name3-amino-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cnn(C(C)C)c2)c1
InChIInChI=1S/C13H18N4O2S/c1-9(2)17-8-12(7-15-17)16-20(18,19)13-5-10(3)4-11(14)6-13/h4-9,16H,14H2,1-3H3
InChIKeyJVKWTBZONXAJDL-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
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-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide
CID 62902817
2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide
CID 62903564
6-amino-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-sulfonamide
CID 62903961
5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide
CID 113383213
3-bromo-4-chloro-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide
CID 106612227
3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 43255782
3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43255674
3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 43256286
3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 62904467
methyl 3-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]benzoate
CID 86812919
4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide
CID 106056788
N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119055427

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide (CID 62902814) is 3-amino-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2cnn(C(C)C)c2)c1.
What is the InChIKey of 3-amino-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is JVKWTBZONXAJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9(2)17-8-12(7-15-17)16-20(18,19)13-5-10(3)4-11(14)6-13/h4-9,16H,14H2,1-3H3.
What are the key properties of 3-amino-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide?
3-amino-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.16, 4 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-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 62902814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).