3-[[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide

C22H24FN5O4S — CID 46489475

IUPAC3-[[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C22H24FN5O4S/c1-14-20(15(2)28(26-14)18-10-8-17(23)9-11-18)13-21(29)24-25-22(30)16-6-5-7-19(12-16)33(31,32)27(3)4/h5-12H,13H2,1-4H3,(H,24,29)(H,25,30)
InChIKeyWNPVVHLBSVAQQA-UHFFFAOYSA-N
MW473.53 g/mol
LogP1.88
Rot. Bonds6

About 3-[[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide

3-[[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 46489475) has the molecular formula C22H24FN5O4S and a molecular weight of 473.53 g/mol. Its IUPAC name is 3-[[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
PubChem CID46489475
Molecular FormulaC22H24FN5O4S
Molecular Weight473.53 g/mol
Exact Mass473.15
IUPAC Name3-[[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C22H24FN5O4S/c1-14-20(15(2)28(26-14)18-10-8-17(23)9-11-18)13-21(29)24-25-22(30)16-6-5-7-19(12-16)33(31,32)27(3)4/h5-12H,13H2,1-4H3,(H,24,29)(H,25,30)
InChIKeyWNPVVHLBSVAQQA-UHFFFAOYSA-N
XLogP1.88
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide 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

3-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 8880057
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 18200170
N,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 34029254
3-[[[2-(2,4-difluorophenoxy)acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 31896214
N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86997975
N-[2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]-2-methylpropanamide
CID 47044914
3-(dimethylamino)-N'-[(E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enoyl]benzohydrazide
CID 30486986
(2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide
CID 51959268
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55912090
N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 34523393
N,N-dimethyl-3-[(3-methylsulfanylpropanoylamino)carbamoyl]benzenesulfonamide
CID 24639201
N-(2-ethylsulfonylphenyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55760787

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide (CID 46489475) is 3-[[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide is Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-[[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is WNPVVHLBSVAQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O4S/c1-14-20(15(2)28(26-14)18-10-8-17(23)9-11-18)13-21(29)24-25-22(30)16-6-5-7-19(12-16)33(31,32)27(3)4/h5-12H,13H2,1-4H3,(H,24,29)(H,25,30).
What are the key properties of 3-[[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
3-[[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 473.53 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 46489475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).