2,5-dibromo-N-(1-hydroxy-3-methylpentan-2-yl)benzenesulfonamide

C12H17Br2NO3S — CID 21078663

IUPAC2,5-dibromo-N-(1-hydroxy-3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(CO)NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H17Br2NO3S/c1-3-8(2)11(7-16)15-19(17,18)12-6-9(13)4-5-10(12)14/h4-6,8,11,15-16H,3,7H2,1-2H3
InChIKeyNOUSXHLDGHTZBB-UHFFFAOYSA-N
MW415.15 g/mol
LogP2.90
Rot. Bonds6

About 2,5-dibromo-N-(1-hydroxy-3-methylpentan-2-yl)benzenesulfonamide

2,5-dibromo-N-(1-hydroxy-3-methylpentan-2-yl)benzenesulfonamide (PubChem CID 21078663) has the molecular formula C12H17Br2NO3S and a molecular weight of 415.15 g/mol. Its IUPAC name is 2,5-dibromo-N-(1-hydroxy-3-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(1-hydroxy-3-methylpentan-2-yl)benzenesulfonamide
PubChem CID21078663
Molecular FormulaC12H17Br2NO3S
Molecular Weight415.15 g/mol
Exact Mass412.93
IUPAC Name2,5-dibromo-N-(1-hydroxy-3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(CO)NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H17Br2NO3S/c1-3-8(2)11(7-16)15-19(17,18)12-6-9(13)4-5-10(12)14/h4-6,8,11,15-16H,3,7H2,1-2H3
InChIKeyNOUSXHLDGHTZBB-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

4-bromo-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
CID 10019882
4-bromo-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 44602071
2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylbenzenesulfonamide
CID 44602064
2-bromo-N-butyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 44602067
5-bromo-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 71911226
2-bromo-5-fluoro-N-[(2S)-5-hydroxypentan-2-yl]benzenesulfonamide
CID 97239620
4-bromo-2,5-difluoro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
CID 9976512
4-bromo-2,5-difluoro-N-(1-hydroxy-3-methylpentan-2-yl)benzenesulfonamide
CID 21078696
3-bromo-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide
CID 24765844
2-bromo-4-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 55082450
2-bromo-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 60823273
2-bromo-4-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 60823585

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1-hydroxy-3-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(1-hydroxy-3-methylpentan-2-yl)benzenesulfonamide (CID 21078663) is 2,5-dibromo-N-(1-hydroxy-3-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(1-hydroxy-3-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(1-hydroxy-3-methylpentan-2-yl)benzenesulfonamide is CCC(C)C(CO)NS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(1-hydroxy-3-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is NOUSXHLDGHTZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO3S/c1-3-8(2)11(7-16)15-19(17,18)12-6-9(13)4-5-10(12)14/h4-6,8,11,15-16H,3,7H2,1-2H3.
What are the key properties of 2,5-dibromo-N-(1-hydroxy-3-methylpentan-2-yl)benzenesulfonamide?
2,5-dibromo-N-(1-hydroxy-3-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-3-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 21078663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).