3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide

C9H10BrN3O2S2 — CID 61072946

IUPAC3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1ccnc1)c1sccc1Br
InChIInChI=1S/C9H10BrN3O2S2/c10-8-1-6-16-9(8)17(14,15)12-3-5-13-4-2-11-7-13/h1-2,4,6-7,12H,3,5H2
InChIKeyGSKAHZWGZGIGCR-UHFFFAOYSA-N
MW336.24 g/mol
LogP1.69
Rot. Bonds5

About 3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide

3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide (PubChem CID 61072946) has the molecular formula C9H10BrN3O2S2 and a molecular weight of 336.24 g/mol. Its IUPAC name is 3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide
PubChem CID61072946
Molecular FormulaC9H10BrN3O2S2
Molecular Weight336.24 g/mol
Exact Mass334.94
IUPAC Name3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1ccnc1)c1sccc1Br
InChIInChI=1S/C9H10BrN3O2S2/c10-8-1-6-16-9(8)17(14,15)12-3-5-13-4-2-11-7-13/h1-2,4,6-7,12H,3,5H2
InChIKeyGSKAHZWGZGIGCR-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-imidazol-1-ylethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106018077
4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324479
3-bromo-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61073398
2-bromo-N-(2-imidazol-1-ylethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106018081
5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide
CID 54951556
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 113225806
3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 119964647
5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide
CID 106270612
3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide
CID 61456011
2-bromo-4-fluoro-N-(4-imidazol-1-ylbutyl)benzenesulfonamide
CID 61069449
3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324481

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide (CID 61072946) is 3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide is O=S(=O)(NCCn1ccnc1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide?
The InChIKey is GSKAHZWGZGIGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2S2/c10-8-1-6-16-9(8)17(14,15)12-3-5-13-4-2-11-7-13/h1-2,4,6-7,12H,3,5H2.
What are the key properties of 3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide?
3-bromo-N-(2-imidazol-1-ylethyl)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 3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61072946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).