5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide

C11H13BrN2O2S2 — CID 110721147

IUPAC5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCn1cccc1)c1ccc(Br)s1
InChIInChI=1S/C11H13BrN2O2S2/c12-10-4-5-11(17-10)18(15,16)13-6-3-9-14-7-1-2-8-14/h1-2,4-5,7-8,13H,3,6,9H2
InChIKeyUEKTYZWDEKQENJ-UHFFFAOYSA-N
MW349.28 g/mol
LogP2.68
Rot. Bonds6

About 5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide

5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide (PubChem CID 110721147) has the molecular formula C11H13BrN2O2S2 and a molecular weight of 349.28 g/mol. Its IUPAC name is 5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
PubChem CID110721147
Molecular FormulaC11H13BrN2O2S2
Molecular Weight349.28 g/mol
Exact Mass347.96
IUPAC Name5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCn1cccc1)c1ccc(Br)s1
InChIInChI=1S/C11H13BrN2O2S2/c12-10-4-5-11(17-10)18(15,16)13-6-3-9-14-7-1-2-8-14/h1-2,4-5,7-8,13H,3,6,9H2
InChIKeyUEKTYZWDEKQENJ-UHFFFAOYSA-N
XLogP2.68
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721121
5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 115638717
5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide
CID 51330982
5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 106158682
N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide
CID 39423764
5-bromo-N-[3-(2-methoxyethoxy)propyl]thiophene-2-sulfonamide
CID 51249234
3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate
CID 4084125
5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 3488993
5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride
CID 119966296
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
5-bromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide
CID 4996312
5-bromothiophene-2-sulfonohydrazide
CID 23464136

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide (CID 110721147) is 5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide is O=S(=O)(NCCCn1cccc1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide?
The InChIKey is UEKTYZWDEKQENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S2/c12-10-4-5-11(17-10)18(15,16)13-6-3-9-14-7-1-2-8-14/h1-2,4-5,7-8,13H,3,6,9H2.
What are the key properties of 5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide?
5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide has a molecular weight of 349.28 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 110721147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).