4-bromo-N-(2-hydroxyethyl)benzenesulfinamide

C8H10BrNO2S — CID 156509952

IUPAC4-bromo-N-(2-hydroxyethyl)benzenesulfinamide
SMILESO=S(NCCO)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrNO2S/c9-7-1-3-8(4-2-7)13(12)10-5-6-11/h1-4,10-11H,5-6H2
InChIKeyFLFCBRPTOSKLKR-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.05
Rot. Bonds4

About 4-bromo-N-(2-hydroxyethyl)benzenesulfinamide

4-bromo-N-(2-hydroxyethyl)benzenesulfinamide (PubChem CID 156509952) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxyethyl)benzenesulfinamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxyethyl)benzenesulfinamide
PubChem CID156509952
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name4-bromo-N-(2-hydroxyethyl)benzenesulfinamide
SMILESO=S(NCCO)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrNO2S/c9-7-1-3-8(4-2-7)13(12)10-5-6-11/h1-4,10-11H,5-6H2
InChIKeyFLFCBRPTOSKLKR-UHFFFAOYSA-N
XLogP1.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxyethyl)benzenesulfinamide?
The IUPAC name of 4-bromo-N-(2-hydroxyethyl)benzenesulfinamide (CID 156509952) is 4-bromo-N-(2-hydroxyethyl)benzenesulfinamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxyethyl)benzenesulfinamide?
The canonical SMILES for 4-bromo-N-(2-hydroxyethyl)benzenesulfinamide is O=S(NCCO)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-hydroxyethyl)benzenesulfinamide?
The InChIKey is FLFCBRPTOSKLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c9-7-1-3-8(4-2-7)13(12)10-5-6-11/h1-4,10-11H,5-6H2.
What are the key properties of 4-bromo-N-(2-hydroxyethyl)benzenesulfinamide?
4-bromo-N-(2-hydroxyethyl)benzenesulfinamide has a molecular weight of 264.14 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-hydroxyethyl)benzenesulfinamide is sourced from PubChem (CID 156509952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).