5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide

C7H10BrNO4S2 — CID 65314645

IUPAC5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC(CO)CO)c1ccc(Br)s1
InChIInChI=1S/C7H10BrNO4S2/c8-6-1-2-7(14-6)15(12,13)9-5(3-10)4-11/h1-2,5,9-11H,3-4H2
InChIKeySIXZLBOPFTVAQR-UHFFFAOYSA-N
MW316.20 g/mol
LogP0.14
Rot. Bonds5

About 5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide

5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide (PubChem CID 65314645) has the molecular formula C7H10BrNO4S2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide
PubChem CID65314645
Molecular FormulaC7H10BrNO4S2
Molecular Weight316.20 g/mol
Exact Mass314.92
IUPAC Name5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC(CO)CO)c1ccc(Br)s1
InChIInChI=1S/C7H10BrNO4S2/c8-6-1-2-7(14-6)15(12,13)9-5(3-10)4-11/h1-2,5,9-11H,3-4H2
InChIKeySIXZLBOPFTVAQR-UHFFFAOYSA-N
XLogP0.14
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 22500893
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 65033663
5-bromo-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
CID 11476060
2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244964
5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide
CID 10292550
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
3-[(5-bromothiophen-2-yl)sulfonylamino]-4-(dimethylamino)butanoic acid
CID 68740912
5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483
5-bromo-N-[(2S,3R)-3-ethyl-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 66929812
5-bromo-N-[(2R,3R)-1-hydroxy-3-methylnonan-2-yl]thiophene-2-sulfonamide
CID 10200862

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide (CID 65314645) is 5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide is O=S(=O)(NC(CO)CO)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide?
The InChIKey is SIXZLBOPFTVAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO4S2/c8-6-1-2-7(14-6)15(12,13)9-5(3-10)4-11/h1-2,5,9-11H,3-4H2.
What are the key properties of 5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide?
5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide has a molecular weight of 316.20 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 65314645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).