N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide

C12H14FN3O2S — CID 43547468

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C12H14FN3O2S/c1-7-6-10(13)4-5-11(7)19(17,18)16-12-8(2)14-15-9(12)3/h4-6,16H,1-3H3,(H,14,15)
InChIKeyJZIVMNVOXDMFLQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.27
Rot. Bonds3

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 43547468) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID43547468
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C12H14FN3O2S/c1-7-6-10(13)4-5-11(7)19(17,18)16-12-8(2)14-15-9(12)3/h4-6,16H,1-3H3,(H,14,15)
InChIKeyJZIVMNVOXDMFLQ-UHFFFAOYSA-N
XLogP2.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide
CID 110732621
N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 112699331
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-hydroxybenzenesulfonamide
CID 81241328
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
N-(4-ethyl-1H-pyrazol-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 104621163
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43547448
4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 43547505
2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 106491423
4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 110776614
4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide
CID 82844313
4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-sulfonamide
CID 62145923

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide (CID 43547468) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is JZIVMNVOXDMFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-7-6-10(13)4-5-11(7)19(17,18)16-12-8(2)14-15-9(12)3/h4-6,16H,1-3H3,(H,14,15).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 283.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 43547468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).