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

C12H20BrNO3S2 — CID 10292550

IUPAC5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide
SMILESCC(C)C[C@@H](C)[C@H](CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H20BrNO3S2/c1-8(2)6-9(3)10(7-15)14-19(16,17)12-5-4-11(13)18-12/h4-5,8-10,14-15H,6-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyBMTFBTSSMQOEEC-ZJUUUORDSA-N
MW370.33 g/mol
LogP2.83
Rot. Bonds7

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

5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide (PubChem CID 10292550) has the molecular formula C12H20BrNO3S2 and a molecular weight of 370.33 g/mol. Its IUPAC name is 5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide
PubChem CID10292550
Molecular FormulaC12H20BrNO3S2
Molecular Weight370.33 g/mol
Exact Mass369.01
IUPAC Name5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide
SMILESCC(C)C[C@@H](C)[C@H](CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H20BrNO3S2/c1-8(2)6-9(3)10(7-15)14-19(16,17)12-5-4-11(13)18-12/h4-5,8-10,14-15H,6-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyBMTFBTSSMQOEEC-ZJUUUORDSA-N
XLogP2.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
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CID 22500893
5-bromo-N-[(2R,3R)-1-hydroxy-3-methylnonan-2-yl]thiophene-2-sulfonamide
CID 10200862
5-bromo-N-[3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]thiophene-2-sulfonamide
CID 22500884
5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide
CID 22500909
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-[(2S,3R)-3-ethyl-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 66929812
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide
CID 10294016
5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide (CID 10292550) is 5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide is CC(C)C[C@@H](C)[C@H](CO)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide?
The InChIKey is BMTFBTSSMQOEEC-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H20BrNO3S2/c1-8(2)6-9(3)10(7-15)14-19(16,17)12-5-4-11(13)18-12/h4-5,8-10,14-15H,6-7H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of 5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide?
5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide has a molecular weight of 370.33 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 10292550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).