3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide

C11H16BrNO3S — CID 82827251

IUPAC3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide
SMILESCC(COCc1ccc(Br)cc1)CS(N)(=O)=O
InChIInChI=1S/C11H16BrNO3S/c1-9(8-17(13,14)15)6-16-7-10-2-4-11(12)5-3-10/h2-5,9H,6-8H2,1H3,(H2,13,14,15)
InChIKeyFCSQFMCAXDYJSP-UHFFFAOYSA-N
MW322.22 g/mol
LogP1.89
Rot. Bonds6

About 3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide

3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide (PubChem CID 82827251) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide
PubChem CID82827251
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide
SMILESCC(COCc1ccc(Br)cc1)CS(N)(=O)=O
InChIInChI=1S/C11H16BrNO3S/c1-9(8-17(13,14)15)6-16-7-10-2-4-11(12)5-3-10/h2-5,9H,6-8H2,1H3,(H2,13,14,15)
InChIKeyFCSQFMCAXDYJSP-UHFFFAOYSA-N
XLogP1.89
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methoxymethyl]butane-1-sulfonamide
CID 82827482
2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide
CID 82827167
(1R)-3-[3-[(4-bromophenyl)methoxy]-2-methylpropoxy]-1-silylpropane-1-thiol
CID 173111005
3-(5-bromo-2-methylphenoxy)-2-methylpropane-1-sulfonamide
CID 107286864
2-amino-3-[(4-bromophenyl)methoxy]propanamide
CID 82827712
1-[[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]methyl]-4-methoxybenzene
CID 10903767
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]propanoic acid
CID 105345020
[(2R)-3-[(4-bromophenyl)methoxy]-2-methylpropoxy]sulfanyl-propylsilane
CID 173108452
2-(phenylmethoxymethyl)pentane-1-sulfonamide
CID 65013117
(4-bromophenyl)methyl 2-aminopropanoate
CID 79016894
4-(2-methylbutoxymethyl)aniline
CID 62103627
2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine
CID 102940584

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide (CID 82827251) is 3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide is CC(COCc1ccc(Br)cc1)CS(N)(=O)=O.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide?
The InChIKey is FCSQFMCAXDYJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-9(8-17(13,14)15)6-16-7-10-2-4-11(12)5-3-10/h2-5,9H,6-8H2,1H3,(H2,13,14,15).
What are the key properties of 3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide?
3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide has a molecular weight of 322.22 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 82827251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).