5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide

C7H10BrNO2S3 — CID 57018556

IUPAC5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide
SMILESCC(S)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C7H10BrNO2S3/c1-5(12)4-9-14(10,11)7-3-2-6(8)13-7/h2-3,5,9,12H,4H2,1H3
InChIKeyKYLMUIQMWZXXPC-UHFFFAOYSA-N
MW316.27 g/mol
LogP2.11
Rot. Bonds4

About 5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide

5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide (PubChem CID 57018556) has the molecular formula C7H10BrNO2S3 and a molecular weight of 316.27 g/mol. Its IUPAC name is 5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide
PubChem CID57018556
Molecular FormulaC7H10BrNO2S3
Molecular Weight316.27 g/mol
Exact Mass314.91
IUPAC Name5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide
SMILESCC(S)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C7H10BrNO2S3/c1-5(12)4-9-14(10,11)7-3-2-6(8)13-7/h2-3,5,9,12H,4H2,1H3
InChIKeyKYLMUIQMWZXXPC-UHFFFAOYSA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614
5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 120824454
5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 107158212
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 106158682
2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
CID 65222656
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 97417531
5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
5-bromo-N-(4-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 83179426
5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide
CID 65110898

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide (CID 57018556) is 5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide is CC(S)CNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide?
The InChIKey is KYLMUIQMWZXXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO2S3/c1-5(12)4-9-14(10,11)7-3-2-6(8)13-7/h2-3,5,9,12H,4H2,1H3.
What are the key properties of 5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide?
5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide has a molecular weight of 316.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 57018556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).