2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide

C12H17Br2NO3S — CID 61246459

IUPAC2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H17Br2NO3S/c1-8(2)5-10(7-16)15-19(17,18)12-6-9(13)3-4-11(12)14/h3-4,6,8,10,15-16H,5,7H2,1-2H3
InChIKeyIDSQXHJBINIEFZ-UHFFFAOYSA-N
MW415.15 g/mol
LogP2.90
Rot. Bonds6

About 2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide

2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 61246459) has the molecular formula C12H17Br2NO3S and a molecular weight of 415.15 g/mol. Its IUPAC name is 2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
PubChem CID61246459
Molecular FormulaC12H17Br2NO3S
Molecular Weight415.15 g/mol
Exact Mass412.93
IUPAC Name2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H17Br2NO3S/c1-8(2)5-10(7-16)15-19(17,18)12-6-9(13)3-4-11(12)14/h3-4,6,8,10,15-16H,5,7H2,1-2H3
InChIKeyIDSQXHJBINIEFZ-UHFFFAOYSA-N
XLogP2.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.15
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 51697632
4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
CID 10472170
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828956
methyl 2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoate
CID 24867958
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119983067
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid
CID 54991538
4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61246458
2,5-dibromo-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103858962
2,5-dibromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833752
3-bromo-5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzenesulfonamide
CID 61247098
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82950147
4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide (CID 61246459) is 2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide is CC(C)CC(CO)NS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is IDSQXHJBINIEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO3S/c1-8(2)5-10(7-16)15-19(17,18)12-6-9(13)3-4-11(12)14/h3-4,6,8,10,15-16H,5,7H2,1-2H3.
What are the key properties of 2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 415.15 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61246459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).