2-bromo-N-[(2R)-2-methoxy-3-methylbutyl]-4-methylbenzenesulfonamide

C13H20BrNO3S — CID 164639487

IUPAC2-bromo-N-[(2R)-2-methoxy-3-methylbutyl]-4-methylbenzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1ccc(C)cc1Br)C(C)C
InChIInChI=1S/C13H20BrNO3S/c1-9(2)12(18-4)8-15-19(16,17)13-6-5-10(3)7-11(13)14/h5-7,9,12,15H,8H2,1-4H3/t12-/m0/s1
InChIKeyYFCGNQDWAKGOLN-LBPRGKRZSA-N
MW350.28 g/mol
LogP2.71
Rot. Bonds6

About 2-bromo-N-[(2R)-2-methoxy-3-methylbutyl]-4-methylbenzenesulfonamide

2-bromo-N-[(2R)-2-methoxy-3-methylbutyl]-4-methylbenzenesulfonamide (PubChem CID 164639487) has the molecular formula C13H20BrNO3S and a molecular weight of 350.28 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-2-methoxy-3-methylbutyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(2R)-2-methoxy-3-methylbutyl]-4-methylbenzenesulfonamide
PubChem CID164639487
Molecular FormulaC13H20BrNO3S
Molecular Weight350.28 g/mol
Exact Mass349.03
IUPAC Name2-bromo-N-[(2R)-2-methoxy-3-methylbutyl]-4-methylbenzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1ccc(C)cc1Br)C(C)C
InChIInChI=1S/C13H20BrNO3S/c1-9(2)12(18-4)8-15-19(16,17)13-6-5-10(3)7-11(13)14/h5-7,9,12,15H,8H2,1-4H3/t12-/m0/s1
InChIKeyYFCGNQDWAKGOLN-LBPRGKRZSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-[(2R)-2-methoxy-3-methylbutyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-2-methoxy-3-methylbutyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-[(2R)-2-methoxy-3-methylbutyl]-4-methylbenzenesulfonamide (CID 164639487) is 2-bromo-N-[(2R)-2-methoxy-3-methylbutyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(2R)-2-methoxy-3-methylbutyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(2R)-2-methoxy-3-methylbutyl]-4-methylbenzenesulfonamide is CO[C@@H](CNS(=O)(=O)c1ccc(C)cc1Br)C(C)C.
What is the InChIKey of 2-bromo-N-[(2R)-2-methoxy-3-methylbutyl]-4-methylbenzenesulfonamide?
The InChIKey is YFCGNQDWAKGOLN-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20BrNO3S/c1-9(2)12(18-4)8-15-19(16,17)13-6-5-10(3)7-11(13)14/h5-7,9,12,15H,8H2,1-4H3/t12-/m0/s1.
What are the key properties of 2-bromo-N-[(2R)-2-methoxy-3-methylbutyl]-4-methylbenzenesulfonamide?
2-bromo-N-[(2R)-2-methoxy-3-methylbutyl]-4-methylbenzenesulfonamide has a molecular weight of 350.28 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2R)-2-methoxy-3-methylbutyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 164639487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).