5-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-2-sulfonamide

C12H11BrClNO3S2 — CID 103825674

IUPAC5-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@H](CO)c1ccccc1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H11BrClNO3S2/c13-12-9(14)6-11(19-12)20(17,18)15-10(7-16)8-4-2-1-3-5-8/h1-6,10,15-16H,7H2/t10-/m1/s1
InChIKeyYEDACJBQFKXWAW-SNVBAGLBSA-N
MW396.72 g/mol
LogP3.18
Rot. Bonds5

About 5-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-2-sulfonamide

5-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-2-sulfonamide (PubChem CID 103825674) has the molecular formula C12H11BrClNO3S2 and a molecular weight of 396.72 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-2-sulfonamide
PubChem CID103825674
Molecular FormulaC12H11BrClNO3S2
Molecular Weight396.72 g/mol
Exact Mass394.91
IUPAC Name5-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@H](CO)c1ccccc1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H11BrClNO3S2/c13-12-9(14)6-11(19-12)20(17,18)15-10(7-16)8-4-2-1-3-5-8/h1-6,10,15-16H,7H2/t10-/m1/s1
InChIKeyYEDACJBQFKXWAW-SNVBAGLBSA-N
XLogP3.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.72
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide
CID 114010398
5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide
CID 80577968
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide
CID 55159229
5-bromo-N-(2-bromo-1-phenylethyl)-4-methylthiophene-2-sulfonamide
CID 114296879
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid
CID 80577604
2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837069
2,3-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837084
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
3-amino-4-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861953
4-bromo-3-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825685
(2S)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid
CID 80577574

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-2-sulfonamide (CID 103825674) is 5-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-2-sulfonamide is O=S(=O)(N[C@H](CO)c1ccccc1)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-2-sulfonamide?
The InChIKey is YEDACJBQFKXWAW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H11BrClNO3S2/c13-12-9(14)6-11(19-12)20(17,18)15-10(7-16)8-4-2-1-3-5-8/h1-6,10,15-16H,7H2/t10-/m1/s1.
What are the key properties of 5-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-2-sulfonamide?
5-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-2-sulfonamide has a molecular weight of 396.72 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 103825674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).