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

C9H10BrN3O2S2 — CID 22208778

IUPACN-[2-(4-bromopyrazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1cc(Br)cn1)c1cccs1
InChIInChI=1S/C9H10BrN3O2S2/c10-8-6-11-13(7-8)4-3-12-17(14,15)9-2-1-5-16-9/h1-2,5-7,12H,3-4H2
InChIKeyQGZGGILPBXIBOU-UHFFFAOYSA-N
MW336.24 g/mol
LogP1.69
Rot. Bonds5

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

N-[2-(4-bromopyrazol-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 22208778) has the molecular formula C9H10BrN3O2S2 and a molecular weight of 336.24 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID22208778
Molecular FormulaC9H10BrN3O2S2
Molecular Weight336.24 g/mol
Exact Mass334.94
IUPAC NameN-[2-(4-bromopyrazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1cc(Br)cn1)c1cccs1
InChIInChI=1S/C9H10BrN3O2S2/c10-8-6-11-13(7-8)4-3-12-17(14,15)9-2-1-5-16-9/h1-2,5-7,12H,3-4H2
InChIKeyQGZGGILPBXIBOU-UHFFFAOYSA-N
XLogP1.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide
CID 22208753
N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 22208789
N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 42226747
N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223
N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 34247451
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207435
N-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17022299
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-[2-(4-bromopyrazol-1-yl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide
CID 22208799
N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-sulfonamide
CID 121022629
N-[2-(ethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119973565
N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide
CID 113082486

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]thiophene-2-sulfonamide (CID 22208778) is N-[2-(4-bromopyrazol-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCn1cc(Br)cn1)c1cccs1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is QGZGGILPBXIBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2S2/c10-8-6-11-13(7-8)4-3-12-17(14,15)9-2-1-5-16-9/h1-2,5-7,12H,3-4H2.
What are the key properties of N-[2-(4-bromopyrazol-1-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(4-bromopyrazol-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 336.24 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22208778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).