5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride

C8H12BrClN2O2S2 — CID 71636318

IUPAC5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(N[C@@H]1CCNC1)c1ccc(Br)s1
InChIInChI=1S/C8H11BrN2O2S2.ClH/c9-7-1-2-8(14-7)15(12,13)11-6-3-4-10-5-6;/h1-2,6,10-11H,3-5H2;1H/t6-;/m1./s1
InChIKeyQLEPANWCDJKWMI-FYZOBXCZSA-N
MW347.69 g/mol
LogP1.57
Rot. Bonds3

About 5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride

5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 71636318) has the molecular formula C8H12BrClN2O2S2 and a molecular weight of 347.69 g/mol. Its IUPAC name is 5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride
PubChem CID71636318
Molecular FormulaC8H12BrClN2O2S2
Molecular Weight347.69 g/mol
Exact Mass345.92
IUPAC Name5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(N[C@@H]1CCNC1)c1ccc(Br)s1
InChIInChI=1S/C8H11BrN2O2S2.ClH/c9-7-1-2-8(14-7)15(12,13)11-6-3-4-10-5-6;/h1-2,6,10-11H,3-5H2;1H/t6-;/m1./s1
InChIKeyQLEPANWCDJKWMI-FYZOBXCZSA-N
XLogP1.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.69
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride
CID 120724757
5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 62380456
5-bromo-N-cyclopentylthiophene-2-sulfonamide
CID 893383
5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 80577813
5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 119967115
5-bromo-N-cyclooctylthiophene-2-sulfonamide
CID 19681116
5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97052749
5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 79988606
5-bromo-N-(4-hydroxycyclohexyl)thiophene-2-sulfonamide
CID 43389482
5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide
CID 37308568
5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride
CID 166174114
5-chloro-N-piperidin-4-ylthiophene-2-sulfonamide
CID 28811036

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride (CID 71636318) is 5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride is Cl.O=S(=O)(N[C@@H]1CCNC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is QLEPANWCDJKWMI-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H11BrN2O2S2.ClH/c9-7-1-2-8(14-7)15(12,13)11-6-3-4-10-5-6;/h1-2,6,10-11H,3-5H2;1H/t6-;/m1./s1.
What are the key properties of 5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride?
5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 347.69 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 71636318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).