N-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide

C11H11BrFN3O2S — CID 22208753

IUPACN-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCn1cc(Br)cn1)c1ccc(F)cc1
InChIInChI=1S/C11H11BrFN3O2S/c12-9-7-14-16(8-9)6-5-15-19(17,18)11-3-1-10(13)2-4-11/h1-4,7-8,15H,5-6H2
InChIKeyMIMMHBVBZISXKI-UHFFFAOYSA-N
MW348.20 g/mol
LogP1.76
Rot. Bonds5

About N-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide

N-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 22208753) has the molecular formula C11H11BrFN3O2S and a molecular weight of 348.20 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID22208753
Molecular FormulaC11H11BrFN3O2S
Molecular Weight348.20 g/mol
Exact Mass346.97
IUPAC NameN-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCn1cc(Br)cn1)c1ccc(F)cc1
InChIInChI=1S/C11H11BrFN3O2S/c12-9-7-14-16(8-9)6-5-15-19(17,18)11-3-1-10(13)2-4-11/h1-4,7-8,15H,5-6H2
InChIKeyMIMMHBVBZISXKI-UHFFFAOYSA-N
XLogP1.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromopyrazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 22208778
N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 22208789
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 115319861
N-[2-(4-bromopyrazol-1-yl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide
CID 22208799
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
(E)-N-[3-(4-bromopyrazol-1-yl)propyl]-3-(4-fluorophenyl)prop-2-enamide
CID 19295855
4-bromo-1-[2-(4-fluorophenoxy)ethyl]pyrazole
CID 60588401
4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61218136
2-[(4-fluorophenyl)sulfonylamino]ethylurea
CID 78994332
N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 19282850
1-[2-(4-bromopyrazol-1-yl)ethyl]-3-(3-fluorophenyl)urea
CID 39854977
4-fluoro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 18569804

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide (CID 22208753) is N-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCCn1cc(Br)cn1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is MIMMHBVBZISXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O2S/c12-9-7-14-16(8-9)6-5-15-19(17,18)11-3-1-10(13)2-4-11/h1-4,7-8,15H,5-6H2.
What are the key properties of N-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide?
N-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 348.20 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 22208753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).