3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide

C16H18BrNO3S — CID 32945181

IUPAC3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)cc1Br
InChIInChI=1S/C16H18BrNO3S/c1-12(13-6-4-3-5-7-13)11-18-22(19,20)14-8-9-16(21-2)15(17)10-14/h3-10,12,18H,11H2,1-2H3/t12-/m0/s1
InChIKeyLQVDEPXMRWHMAQ-LBPRGKRZSA-N
MW384.30 g/mol
LogP3.54
Rot. Bonds6

About 3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide

3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide (PubChem CID 32945181) has the molecular formula C16H18BrNO3S and a molecular weight of 384.30 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide
PubChem CID32945181
Molecular FormulaC16H18BrNO3S
Molecular Weight384.30 g/mol
Exact Mass383.02
IUPAC Name3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)cc1Br
InChIInChI=1S/C16H18BrNO3S/c1-12(13-6-4-3-5-7-13)11-18-22(19,20)14-8-9-16(21-2)15(17)10-14/h3-10,12,18H,11H2,1-2H3/t12-/m0/s1
InChIKeyLQVDEPXMRWHMAQ-LBPRGKRZSA-N
XLogP3.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 37498470
N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide
CID 63733775
3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966879
3-bromo-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63961409
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
3-bromo-4-methoxy-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112727228
3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554
5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 100551051
3-bromo-N-[4-[(2R)-butan-2-yl]phenyl]-4-methoxybenzenesulfonamide
CID 2697059
4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 100550950
3-bromo-4-methoxy-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 55353294
3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 11978755

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide (CID 32945181) is 3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide?
The InChIKey is LQVDEPXMRWHMAQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18BrNO3S/c1-12(13-6-4-3-5-7-13)11-18-22(19,20)14-8-9-16(21-2)15(17)10-14/h3-10,12,18H,11H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide?
3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide has a molecular weight of 384.30 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide is sourced from PubChem (CID 32945181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).