2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]benzenesulfonamide

C18H16BrNO3S — CID 95376465

IUPAC2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1ccccc1Br
InChIInChI=1S/C18H16BrNO3S/c19-16-10-3-4-11-18(16)24(22,23)20-12-17(21)15-9-5-7-13-6-1-2-8-14(13)15/h1-11,17,20-21H,12H2/t17-/m0/s1
InChIKeyMYNFOXRYOYFFSJ-KRWDZBQOSA-N
MW406.30 g/mol
LogP3.61
Rot. Bonds5

About 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]benzenesulfonamide

2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]benzenesulfonamide (PubChem CID 95376465) has the molecular formula C18H16BrNO3S and a molecular weight of 406.30 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]benzenesulfonamide
PubChem CID95376465
Molecular FormulaC18H16BrNO3S
Molecular Weight406.30 g/mol
Exact Mass405.00
IUPAC Name2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1ccccc1Br
InChIInChI=1S/C18H16BrNO3S/c19-16-10-3-4-11-18(16)24(22,23)20-12-17(21)15-9-5-7-13-6-1-2-8-14(13)15/h1-11,17,20-21H,12H2/t17-/m0/s1
InChIKeyMYNFOXRYOYFFSJ-KRWDZBQOSA-N
XLogP3.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]benzenesulfonamide (CID 95376465) is 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]benzenesulfonamide is O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]benzenesulfonamide?
The InChIKey is MYNFOXRYOYFFSJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16BrNO3S/c19-16-10-3-4-11-18(16)24(22,23)20-12-17(21)15-9-5-7-13-6-1-2-8-14(13)15/h1-11,17,20-21H,12H2/t17-/m0/s1.
What are the key properties of 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]benzenesulfonamide?
2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]benzenesulfonamide has a molecular weight of 406.30 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]benzenesulfonamide is sourced from PubChem (CID 95376465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).