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

C11H14N4O2S — CID 25046851

IUPAC4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H14N4O2S/c1-7-11(8(2)14-13-7)15-18(16,17)10-5-3-9(12)4-6-10/h3-6,15H,12H2,1-2H3,(H,13,14)
InChIKeyFMASBEBCDMIDPU-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.41
Rot. Bonds3

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

4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 25046851) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID25046851
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H14N4O2S/c1-7-11(8(2)14-13-7)15-18(16,17)10-5-3-9(12)4-6-10/h3-6,15H,12H2,1-2H3,(H,13,14)
InChIKeyFMASBEBCDMIDPU-UHFFFAOYSA-N
XLogP1.41
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.41
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-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide
CID 82844313
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43547799
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide
CID 43547071
3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 43547574
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-sulfonamide
CID 62145923
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-hydroxybenzenesulfonamide
CID 81241328
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43547448
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 43547583
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 43547468
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616993
Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1)
CID 66643389
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5344

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide (CID 25046851) is 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide is Cc1n[nH]c(C)c1NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is FMASBEBCDMIDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-7-11(8(2)14-13-7)15-18(16,17)10-5-3-9(12)4-6-10/h3-6,15H,12H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide?
4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide has a molecular weight of 266.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 25046851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).