2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide

C12H17Br2NO3S — CID 114153291

IUPAC2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H17Br2NO3S/c1-3-12(2,6-7-16)15-19(17,18)11-5-4-9(13)8-10(11)14/h4-5,8,15-16H,3,6-7H2,1-2H3
InChIKeyKXUZCXXMLYMSKN-UHFFFAOYSA-N
MW415.15 g/mol
LogP3.04
Rot. Bonds6

About 2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide

2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide (PubChem CID 114153291) has the molecular formula C12H17Br2NO3S and a molecular weight of 415.15 g/mol. Its IUPAC name is 2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
PubChem CID114153291
Molecular FormulaC12H17Br2NO3S
Molecular Weight415.15 g/mol
Exact Mass412.93
IUPAC Name2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H17Br2NO3S/c1-3-12(2,6-7-16)15-19(17,18)11-5-4-9(13)8-10(11)14/h4-5,8,15-16H,3,6-7H2,1-2H3
InChIKeyKXUZCXXMLYMSKN-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 64557229
3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169573
4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165228
2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid
CID 60824677
5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165463
3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165383
3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide
CID 106165205
3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-4-methylbenzoic acid
CID 106168429
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide
CID 64557804
4-amino-2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165292
3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169954
3-amino-4-bromo-5-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165237

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide (CID 114153291) is 2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide is CCC(C)(CCO)NS(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is KXUZCXXMLYMSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO3S/c1-3-12(2,6-7-16)15-19(17,18)11-5-4-9(13)8-10(11)14/h4-5,8,15-16H,3,6-7H2,1-2H3.
What are the key properties of 2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 415.15 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 114153291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).