5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide

C11H15BrClNO3S — CID 118470013

IUPAC5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Cl)c(S(=O)(=O)NCC(C)(C)O)cc1Br
InChIInChI=1S/C11H15BrClNO3S/c1-7-4-9(13)10(5-8(7)12)18(16,17)14-6-11(2,3)15/h4-5,14-15H,6H2,1-3H3
InChIKeyCATRHYIXCRJRBP-UHFFFAOYSA-N
MW356.67 g/mol
LogP2.46
Rot. Bonds4

About 5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide

5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide (PubChem CID 118470013) has the molecular formula C11H15BrClNO3S and a molecular weight of 356.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
PubChem CID118470013
Molecular FormulaC11H15BrClNO3S
Molecular Weight356.67 g/mol
Exact Mass354.96
IUPAC Name5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Cl)c(S(=O)(=O)NCC(C)(C)O)cc1Br
InChIInChI=1S/C11H15BrClNO3S/c1-7-4-9(13)10(5-8(7)12)18(16,17)14-6-11(2,3)15/h4-5,14-15H,6H2,1-3H3
InChIKeyCATRHYIXCRJRBP-UHFFFAOYSA-N
XLogP2.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 65114109
3-bromo-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 118469937
5-Bromo-2-chloro-4-methylbenzenesulfonamide
CID 131418544

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide (CID 118470013) is 5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide is Cc1cc(Cl)c(S(=O)(=O)NCC(C)(C)O)cc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The InChIKey is CATRHYIXCRJRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO3S/c1-7-4-9(13)10(5-8(7)12)18(16,17)14-6-11(2,3)15/h4-5,14-15H,6H2,1-3H3.
What are the key properties of 5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide has a molecular weight of 356.67 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 118470013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).