N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-2-fluorobenzenesulfonamide

C19H16FN3O2S3 — CID 59811094

IUPACN-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1c(-c2cccs2)n[nH]c1-c1cccs1)c1ccccc1F
InChIInChI=1S/C19H16FN3O2S3/c20-14-5-1-2-8-17(14)28(24,25)21-10-9-13-18(15-6-3-11-26-15)22-23-19(13)16-7-4-12-27-16/h1-8,11-12,21H,9-10H2,(H,22,23)
InChIKeyFETNJBBRDNGICY-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.53
Rot. Bonds7

About N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-2-fluorobenzenesulfonamide

N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-2-fluorobenzenesulfonamide (PubChem CID 59811094) has the molecular formula C19H16FN3O2S3 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-2-fluorobenzenesulfonamide
PubChem CID59811094
Molecular FormulaC19H16FN3O2S3
Molecular Weight433.56 g/mol
Exact Mass433.04
IUPAC NameN-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1c(-c2cccs2)n[nH]c1-c1cccs1)c1ccccc1F
InChIInChI=1S/C19H16FN3O2S3/c20-14-5-1-2-8-17(14)28(24,25)21-10-9-13-18(15-6-3-11-26-15)22-23-19(13)16-7-4-12-27-16/h1-8,11-12,21H,9-10H2,(H,22,23)
InChIKeyFETNJBBRDNGICY-UHFFFAOYSA-N
XLogP4.53
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 11294571
4-[2-[[[(3R)-1-benzylpyrrolidin-3-yl]-methylsulfamoyl]amino]ethyl]-3-phenyl-5-thiophen-2-yl-1H-pyrazole
CID 11466561
N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56663203
4-[2-[[[(3R)-1-benzylpyrrolidin-3-yl]-methylsulfamoyl]amino]ethyl]-3,5-dithiophen-2-yl-1H-pyrazole
CID 56673575
Pendrin inhibitor C01
CID 53138907
2-Methyl-5-(3-methyl-1H-pyrazol-5-YL)-N-(1,2,3,4-tetrahydronaphthalen-1-YL)thiophene-3-sulfonamide
CID 53138862
5-(3,4-dimethyl-1H-pyrazol-5-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide
CID 20947530
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-sulfonamide
CID 20947610
N-[(4-fluorophenyl)methyl]-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947468
5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 20947475
N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947476
N-(4-Fluoro-2-methylphenyl)-5-(3-methyl-1H-pyrazol-5-YL)thiophene-2-sulfonamide
CID 20947487

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-2-fluorobenzenesulfonamide (CID 59811094) is N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-2-fluorobenzenesulfonamide is O=S(=O)(NCCc1c(-c2cccs2)n[nH]c1-c1cccs1)c1ccccc1F.
What is the InChIKey of N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-2-fluorobenzenesulfonamide?
The InChIKey is FETNJBBRDNGICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S3/c20-14-5-1-2-8-17(14)28(24,25)21-10-9-13-18(15-6-3-11-26-15)22-23-19(13)16-7-4-12-27-16/h1-8,11-12,21H,9-10H2,(H,22,23).
What are the key properties of N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-2-fluorobenzenesulfonamide?
N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-2-fluorobenzenesulfonamide has a molecular weight of 433.56 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 59811094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).