3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide

C13H18N4O2S — CID 43547071

IUPAC3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(C)n[nH]c2C)cc(N)c1C
InChIInChI=1S/C13H18N4O2S/c1-7-5-11(6-12(14)8(7)2)20(18,19)17-13-9(3)15-16-10(13)4/h5-6,17H,14H2,1-4H3,(H,15,16)
InChIKeyRAVNTOSQMODITH-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.03
Rot. Bonds3

About 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide

3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide (PubChem CID 43547071) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide
PubChem CID43547071
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(C)n[nH]c2C)cc(N)c1C
InChIInChI=1S/C13H18N4O2S/c1-7-5-11(6-12(14)8(7)2)20(18,19)17-13-9(3)15-16-10(13)4/h5-6,17H,14H2,1-4H3,(H,15,16)
InChIKeyRAVNTOSQMODITH-UHFFFAOYSA-N
XLogP2.03
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.03
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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43547448
4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 25046851
4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide
CID 82844313
3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 29037888
3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 43547574
3-amino-N-(4-chlorophenyl)-4,5-dimethylbenzenesulfonamide
CID 29276916
2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 106491423
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43547799
3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 28536061
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 43547468
3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28525479
3-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809980

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide (CID 43547071) is 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2c(C)n[nH]c2C)cc(N)c1C.
What is the InChIKey of 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is RAVNTOSQMODITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-7-5-11(6-12(14)8(7)2)20(18,19)17-13-9(3)15-16-10(13)4/h5-6,17H,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide?
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43547071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).