2-bromo-N-[(2R)-2-methoxy-2-phenylbutyl]benzenesulfonamide

C17H20BrNO3S — CID 97428656

IUPAC2-bromo-N-[(2R)-2-methoxy-2-phenylbutyl]benzenesulfonamide
SMILESCC[C@@](CNS(=O)(=O)c1ccccc1Br)(OC)c1ccccc1
InChIInChI=1S/C17H20BrNO3S/c1-3-17(22-2,14-9-5-4-6-10-14)13-19-23(20,21)16-12-8-7-11-15(16)18/h4-12,19H,3,13H2,1-2H3/t17-/m0/s1
InChIKeyPYEKORNCNVLNFO-KRWDZBQOSA-N
MW398.32 g/mol
LogP3.68
Rot. Bonds7

About 2-bromo-N-[(2R)-2-methoxy-2-phenylbutyl]benzenesulfonamide

2-bromo-N-[(2R)-2-methoxy-2-phenylbutyl]benzenesulfonamide (PubChem CID 97428656) has the molecular formula C17H20BrNO3S and a molecular weight of 398.32 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-2-methoxy-2-phenylbutyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(2R)-2-methoxy-2-phenylbutyl]benzenesulfonamide
PubChem CID97428656
Molecular FormulaC17H20BrNO3S
Molecular Weight398.32 g/mol
Exact Mass397.03
IUPAC Name2-bromo-N-[(2R)-2-methoxy-2-phenylbutyl]benzenesulfonamide
SMILESCC[C@@](CNS(=O)(=O)c1ccccc1Br)(OC)c1ccccc1
InChIInChI=1S/C17H20BrNO3S/c1-3-17(22-2,14-9-5-4-6-10-14)13-19-23(20,21)16-12-8-7-11-15(16)18/h4-12,19H,3,13H2,1-2H3/t17-/m0/s1
InChIKeyPYEKORNCNVLNFO-KRWDZBQOSA-N
XLogP3.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-2-methoxy-2-phenylbutyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(2R)-2-methoxy-2-phenylbutyl]benzenesulfonamide (CID 97428656) is 2-bromo-N-[(2R)-2-methoxy-2-phenylbutyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(2R)-2-methoxy-2-phenylbutyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(2R)-2-methoxy-2-phenylbutyl]benzenesulfonamide is CC[C@@](CNS(=O)(=O)c1ccccc1Br)(OC)c1ccccc1.
What is the InChIKey of 2-bromo-N-[(2R)-2-methoxy-2-phenylbutyl]benzenesulfonamide?
The InChIKey is PYEKORNCNVLNFO-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20BrNO3S/c1-3-17(22-2,14-9-5-4-6-10-14)13-19-23(20,21)16-12-8-7-11-15(16)18/h4-12,19H,3,13H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-bromo-N-[(2R)-2-methoxy-2-phenylbutyl]benzenesulfonamide?
2-bromo-N-[(2R)-2-methoxy-2-phenylbutyl]benzenesulfonamide has a molecular weight of 398.32 g/mol, XLogP of 3.68, 7 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-2-phenylbutyl]benzenesulfonamide is sourced from PubChem (CID 97428656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).