3-chloro-4-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide

C15H13ClFN3O3S — CID 146080899

IUPAC3-chloro-4-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide
SMILESCn1nccc1-c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C15H13ClFN3O3S/c1-20-14(6-7-18-20)15-5-2-10(23-15)9-19-24(21,22)11-3-4-13(17)12(16)8-11/h2-8,19H,9H2,1H3
InChIKeyYTMOOIUYXKTQFT-UHFFFAOYSA-N
MW369.81 g/mol
LogP2.95
Rot. Bonds5

About 3-chloro-4-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide

3-chloro-4-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide (PubChem CID 146080899) has the molecular formula C15H13ClFN3O3S and a molecular weight of 369.81 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide
PubChem CID146080899
Molecular FormulaC15H13ClFN3O3S
Molecular Weight369.81 g/mol
Exact Mass369.04
IUPAC Name3-chloro-4-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide
SMILESCn1nccc1-c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C15H13ClFN3O3S/c1-20-14(6-7-18-20)15-5-2-10(23-15)9-19-24(21,22)11-3-4-13(17)12(16)8-11/h2-8,19H,9H2,1H3
InChIKeyYTMOOIUYXKTQFT-UHFFFAOYSA-N
XLogP2.95
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide 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

2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide
CID 146080782
5-methyl-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]thiophene-2-sulfonamide
CID 146080734
4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82844185
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
4-amino-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 115330027
3-chloro-4-fluoro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzenesulfonamide
CID 71808517
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-fluorobenzenesulfonamide
CID 3830698
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 25047062
3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43502351
3-chloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887439

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide (CID 146080899) is 3-chloro-4-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide is Cn1nccc1-c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)o1.
What is the InChIKey of 3-chloro-4-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide?
The InChIKey is YTMOOIUYXKTQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O3S/c1-20-14(6-7-18-20)15-5-2-10(23-15)9-19-24(21,22)11-3-4-13(17)12(16)8-11/h2-8,19H,9H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide has a molecular weight of 369.81 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 146080899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).