N-(4-bromo-2,6-dimethylphenyl)-1-hydroxypropane-2-sulfonamide

C11H16BrNO3S — CID 114133756

IUPACN-(4-bromo-2,6-dimethylphenyl)-1-hydroxypropane-2-sulfonamide
SMILESCc1cc(Br)cc(C)c1NS(=O)(=O)C(C)CO
InChIInChI=1S/C11H16BrNO3S/c1-7-4-10(12)5-8(2)11(7)13-17(15,16)9(3)6-14/h4-5,9,13-14H,6H2,1-3H3
InChIKeyVFSUYEAOJLJULL-UHFFFAOYSA-N
MW322.22 g/mol
LogP2.19
Rot. Bonds4

About N-(4-bromo-2,6-dimethylphenyl)-1-hydroxypropane-2-sulfonamide

N-(4-bromo-2,6-dimethylphenyl)-1-hydroxypropane-2-sulfonamide (PubChem CID 114133756) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-1-hydroxypropane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-1-hydroxypropane-2-sulfonamide
PubChem CID114133756
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-1-hydroxypropane-2-sulfonamide
SMILESCc1cc(Br)cc(C)c1NS(=O)(=O)C(C)CO
InChIInChI=1S/C11H16BrNO3S/c1-7-4-10(12)5-8(2)11(7)13-17(15,16)9(3)6-14/h4-5,9,13-14H,6H2,1-3H3
InChIKeyVFSUYEAOJLJULL-UHFFFAOYSA-N
XLogP2.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1,3-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 65498953
N-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106066656
N-(4-bromo-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide
CID 65498763
1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide
CID 106002465
N-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide
CID 112690775
1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide
CID 106089270
(2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol
CID 106931818
4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline
CID 63448812
5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine
CID 114804604
1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide
CID 106001978
2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol
CID 66515433
(2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide
CID 61147133

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-1-hydroxypropane-2-sulfonamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-1-hydroxypropane-2-sulfonamide (CID 114133756) is N-(4-bromo-2,6-dimethylphenyl)-1-hydroxypropane-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-1-hydroxypropane-2-sulfonamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-1-hydroxypropane-2-sulfonamide is Cc1cc(Br)cc(C)c1NS(=O)(=O)C(C)CO.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-1-hydroxypropane-2-sulfonamide?
The InChIKey is VFSUYEAOJLJULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-7-4-10(12)5-8(2)11(7)13-17(15,16)9(3)6-14/h4-5,9,13-14H,6H2,1-3H3.
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-1-hydroxypropane-2-sulfonamide?
N-(4-bromo-2,6-dimethylphenyl)-1-hydroxypropane-2-sulfonamide has a molecular weight of 322.22 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-1-hydroxypropane-2-sulfonamide is sourced from PubChem (CID 114133756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).