2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]benzenesulfonamide

C15H15BrClNO3S — CID 99876199

IUPAC2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]benzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C15H15BrClNO3S/c1-21-14(11-6-2-4-8-13(11)17)10-18-22(19,20)15-9-5-3-7-12(15)16/h2-9,14,18H,10H2,1H3/t14-/m0/s1
InChIKeyRLOQAVHUOCZSIL-AWEZNQCLSA-N
MW404.71 g/mol
LogP3.77
Rot. Bonds6

About 2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]benzenesulfonamide

2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]benzenesulfonamide (PubChem CID 99876199) has the molecular formula C15H15BrClNO3S and a molecular weight of 404.71 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]benzenesulfonamide
PubChem CID99876199
Molecular FormulaC15H15BrClNO3S
Molecular Weight404.71 g/mol
Exact Mass402.96
IUPAC Name2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]benzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C15H15BrClNO3S/c1-21-14(11-6-2-4-8-13(11)17)10-18-22(19,20)15-9-5-3-7-12(15)16/h2-9,14,18H,10H2,1H3/t14-/m0/s1
InChIKeyRLOQAVHUOCZSIL-AWEZNQCLSA-N
XLogP3.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.71
LogP ≤ 53.77
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-(2-chlorophenyl)-2-methoxyethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]benzenesulfonamide (CID 99876199) is 2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]benzenesulfonamide is CO[C@@H](CNS(=O)(=O)c1ccccc1Br)c1ccccc1Cl.
What is the InChIKey of 2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]benzenesulfonamide?
The InChIKey is RLOQAVHUOCZSIL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15BrClNO3S/c1-21-14(11-6-2-4-8-13(11)17)10-18-22(19,20)15-9-5-3-7-12(15)16/h2-9,14,18H,10H2,1H3/t14-/m0/s1.
What are the key properties of 2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]benzenesulfonamide?
2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]benzenesulfonamide has a molecular weight of 404.71 g/mol, XLogP of 3.77, 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-(2-chlorophenyl)-2-methoxyethyl]benzenesulfonamide is sourced from PubChem (CID 99876199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).