4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide

C12H16BrCl2NO3S — CID 61246458

IUPAC4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H16BrCl2NO3S/c1-7(2)3-9(6-17)16-20(18,19)12-10(14)4-8(13)5-11(12)15/h4-5,7,9,16-17H,3,6H2,1-2H3
InChIKeyIEINAVXJFTYBPC-UHFFFAOYSA-N
MW405.14 g/mol
LogP3.44
Rot. Bonds6

About 4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 61246458) has the molecular formula C12H16BrCl2NO3S and a molecular weight of 405.14 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
PubChem CID61246458
Molecular FormulaC12H16BrCl2NO3S
Molecular Weight405.14 g/mol
Exact Mass402.94
IUPAC Name4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H16BrCl2NO3S/c1-7(2)3-9(6-17)16-20(18,19)12-10(14)4-8(13)5-11(12)15/h4-5,7,9,16-17H,3,6H2,1-2H3
InChIKeyIEINAVXJFTYBPC-UHFFFAOYSA-N
XLogP3.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.14
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
CID 10472170
4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 103861314
2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61246459
4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 60639898
4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081169
2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 61247523
3-bromo-5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzenesulfonamide
CID 61247098
(2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 28828747
4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63994006
4-bromo-2,6-dichloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide
CID 106158302
4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988
4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957290

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide (CID 61246458) is 4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide is CC(C)CC(CO)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is IEINAVXJFTYBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrCl2NO3S/c1-7(2)3-9(6-17)16-20(18,19)12-10(14)4-8(13)5-11(12)15/h4-5,7,9,16-17H,3,6H2,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 405.14 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61246458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).