5-bromo-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide

C9H12BrNO3S — CID 43501995

IUPAC5-bromo-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCCO
InChIInChI=1S/C9H12BrNO3S/c1-7-2-3-8(10)6-9(7)15(13,14)11-4-5-12/h2-3,6,11-12H,4-5H2,1H3
InChIKeyMRTFIFCUBIZIRA-UHFFFAOYSA-N
MW294.17 g/mol
LogP1.03
Rot. Bonds4

About 5-bromo-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide

5-bromo-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide (PubChem CID 43501995) has the molecular formula C9H12BrNO3S and a molecular weight of 294.17 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
PubChem CID43501995
Molecular FormulaC9H12BrNO3S
Molecular Weight294.17 g/mol
Exact Mass292.97
IUPAC Name5-bromo-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCCO
InChIInChI=1S/C9H12BrNO3S/c1-7-2-3-8(10)6-9(7)15(13,14)11-4-5-12/h2-3,6,11-12H,4-5H2,1H3
InChIKeyMRTFIFCUBIZIRA-UHFFFAOYSA-N
XLogP1.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide (CID 43501995) is 5-bromo-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)NCCO.
What is the InChIKey of 5-bromo-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The InChIKey is MRTFIFCUBIZIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3S/c1-7-2-3-8(10)6-9(7)15(13,14)11-4-5-12/h2-3,6,11-12H,4-5H2,1H3.
What are the key properties of 5-bromo-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
5-bromo-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide has a molecular weight of 294.17 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 43501995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).