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

C11H14BrCl2NO4S — CID 103861314

IUPAC4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCC(CCO)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2NO4S/c1-19-6-8(2-3-16)15-20(17,18)11-9(13)4-7(12)5-10(11)14/h4-5,8,15-16H,2-3,6H2,1H3
InChIKeyCPUITWRROWSXAN-UHFFFAOYSA-N
MW407.11 g/mol
LogP2.43
Rot. Bonds7

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

4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide (PubChem CID 103861314) has the molecular formula C11H14BrCl2NO4S and a molecular weight of 407.11 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
PubChem CID103861314
Molecular FormulaC11H14BrCl2NO4S
Molecular Weight407.11 g/mol
Exact Mass404.92
IUPAC Name4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCC(CCO)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2NO4S/c1-19-6-8(2-3-16)15-20(17,18)11-9(13)4-7(12)5-10(11)14/h4-5,8,15-16H,2-3,6H2,1H3
InChIKeyCPUITWRROWSXAN-UHFFFAOYSA-N
XLogP2.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.11
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2,6-dichloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide
CID 106158302
4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61246458
2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 106152688
4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957290
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid
CID 43631162
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 103887495
N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 103887492
4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 60639898
4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63994006
5-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyltriazole-4-sulfonamide
CID 106898562
5-tert-butyl-N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]-2-methylbenzenesulfonamide
CID 97071037
5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide
CID 106162836

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide (CID 103861314) is 4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide is COCC(CCO)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide?
The InChIKey is CPUITWRROWSXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2NO4S/c1-19-6-8(2-3-16)15-20(17,18)11-9(13)4-7(12)5-10(11)14/h4-5,8,15-16H,2-3,6H2,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide has a molecular weight of 407.11 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 103861314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).