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

C13H18N4O2S — CID 104616923

IUPAC4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C13H18N4O2S/c1-8(2)11-7-13(16-15-11)17-20(18,19)12-5-4-10(14)6-9(12)3/h4-8H,14H2,1-3H3,(H2,15,16,17)
InChIKeyVQAWRKIOMRJQBC-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.22
Rot. Bonds4

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

4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 104616923) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID104616923
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C13H18N4O2S/c1-8(2)11-7-13(16-15-11)17-20(18,19)12-5-4-10(14)6-9(12)3/h4-8H,14H2,1-3H3,(H2,15,16,17)
InChIKeyVQAWRKIOMRJQBC-UHFFFAOYSA-N
XLogP2.22
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786258
5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide
CID 104619455
5-amino-2,4-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616943
3-amino-5-chloro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616959
5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 104617001
4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 43258274
2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115686449
1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
CID 104621218
3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 112697809
3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115686443
3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide
CID 112699300
5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 75512964

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide (CID 104616923) is 4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)Nc1cc(C(C)C)[nH]n1.
What is the InChIKey of 4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is VQAWRKIOMRJQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-8(2)11-7-13(16-15-11)17-20(18,19)12-5-4-10(14)6-9(12)3/h4-8H,14H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 104616923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).