5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide

C13H16BrNO4S2 — CID 10294016

IUPAC5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide
SMILESCC[C@@H](c1ccco1)[C@H](CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C13H16BrNO4S2/c1-2-9(11-4-3-7-19-11)10(8-16)15-21(17,18)13-6-5-12(14)20-13/h3-7,9-10,15-16H,2,8H2,1H3/t9-,10+/m1/s1
InChIKeyOVKMPEJYWJEWPI-ZJUUUORDSA-N
MW394.31 g/mol
LogP2.94
Rot. Bonds7

About 5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide

5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide (PubChem CID 10294016) has the molecular formula C13H16BrNO4S2 and a molecular weight of 394.31 g/mol. Its IUPAC name is 5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide
PubChem CID10294016
Molecular FormulaC13H16BrNO4S2
Molecular Weight394.31 g/mol
Exact Mass392.97
IUPAC Name5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide
SMILESCC[C@@H](c1ccco1)[C@H](CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C13H16BrNO4S2/c1-2-9(11-4-3-7-19-11)10(8-16)15-21(17,18)13-6-5-12(14)20-13/h3-7,9-10,15-16H,2,8H2,1H3/t9-,10+/m1/s1
InChIKeyOVKMPEJYWJEWPI-ZJUUUORDSA-N
XLogP2.94
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide with MolForge

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Related Compounds

5-bromo-N-[3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]thiophene-2-sulfonamide
CID 22500884
5-bromo-N-[3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 23001715
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]thiophene-2-sulfonamide
CID 66929668
5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 66929724
5-bromo-N-[(2S,3R)-3-ethyl-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 66929812
5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide
CID 10292550
5-bromo-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
CID 11476060
5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide
CID 65314645
5-bromo-N-[(2R,3R)-1-hydroxy-3-methylnonan-2-yl]thiophene-2-sulfonamide
CID 10200862
5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide
CID 22500909
4-bromo-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]benzenesulfonamide
CID 68543624

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide (CID 10294016) is 5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide is CC[C@@H](c1ccco1)[C@H](CO)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide?
The InChIKey is OVKMPEJYWJEWPI-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H16BrNO4S2/c1-2-9(11-4-3-7-19-11)10(8-16)15-21(17,18)13-6-5-12(14)20-13/h3-7,9-10,15-16H,2,8H2,1H3/t9-,10+/m1/s1.
What are the key properties of 5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide?
5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide has a molecular weight of 394.31 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 10294016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).