5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide

C13H12BrNO3S2 — CID 94064800

IUPAC5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@H]1COc2ccccc2C1)c1ccc(Br)s1
InChIInChI=1S/C13H12BrNO3S2/c14-12-5-6-13(19-12)20(16,17)15-10-7-9-3-1-2-4-11(9)18-8-10/h1-6,10,15H,7-8H2/t10-/m1/s1
InChIKeyMGYMAZYHVSXEKB-SNVBAGLBSA-N
MW374.28 g/mol
LogP2.79
Rot. Bonds3

About 5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide

5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide (PubChem CID 94064800) has the molecular formula C13H12BrNO3S2 and a molecular weight of 374.28 g/mol. Its IUPAC name is 5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide
PubChem CID94064800
Molecular FormulaC13H12BrNO3S2
Molecular Weight374.28 g/mol
Exact Mass372.94
IUPAC Name5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@H]1COc2ccccc2C1)c1ccc(Br)s1
InChIInChI=1S/C13H12BrNO3S2/c14-12-5-6-13(19-12)20(16,17)15-10-7-9-3-1-2-4-11(9)18-8-10/h1-6,10,15H,7-8H2/t10-/m1/s1
InChIKeyMGYMAZYHVSXEKB-SNVBAGLBSA-N
XLogP2.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 94064806
5-bromo-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methyltriazole-4-sulfonamide
CID 99796874
5-bromo-N-cyclopentylthiophene-2-sulfonamide
CID 893383
N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide
CID 53006074
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide
CID 6736413
N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110751552
5-bromo-N-cyclooctylthiophene-2-sulfonamide
CID 19681116
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-sulfonamide
CID 51169116
3-bromo-N-(3,4-dihydro-2H-chromen-3-yl)-5-nitrobenzenesulfonamide
CID 86902082
N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide
CID 94064827
5-bromo-N-(4-hydroxycyclohexyl)thiophene-2-sulfonamide
CID 43389482
5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride
CID 71636318

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide (CID 94064800) is 5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide is O=S(=O)(N[C@H]1COc2ccccc2C1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide?
The InChIKey is MGYMAZYHVSXEKB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H12BrNO3S2/c14-12-5-6-13(19-12)20(16,17)15-10-7-9-3-1-2-4-11(9)18-8-10/h1-6,10,15H,7-8H2/t10-/m1/s1.
What are the key properties of 5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide?
5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide has a molecular weight of 374.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 94064800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).