2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide

C11H15Cl2NO3S — CID 115754918

IUPAC2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
SMILESCC(C)C(O)CNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO3S/c1-7(2)10(15)6-14-18(16,17)11-8(12)4-3-5-9(11)13/h3-5,7,10,14-15H,6H2,1-2H3
InChIKeyOGOQZGWVJLPXJC-UHFFFAOYSA-N
MW312.22 g/mol
LogP2.29
Rot. Bonds5

About 2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide

2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide (PubChem CID 115754918) has the molecular formula C11H15Cl2NO3S and a molecular weight of 312.22 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
PubChem CID115754918
Molecular FormulaC11H15Cl2NO3S
Molecular Weight312.22 g/mol
Exact Mass311.01
IUPAC Name2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
SMILESCC(C)C(O)CNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO3S/c1-7(2)10(15)6-14-18(16,17)11-8(12)4-3-5-9(11)13/h3-5,7,10,14-15H,6H2,1-2H3
InChIKeyOGOQZGWVJLPXJC-UHFFFAOYSA-N
XLogP2.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
CID 46457714
2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 106284162
3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115755002
1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol
CID 115630633
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540414
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65113165
2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232766
4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115755068
2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606022
2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63312066
2-[(2,6-dichlorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 2128469

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide (CID 115754918) is 2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide is CC(C)C(O)CNS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide?
The InChIKey is OGOQZGWVJLPXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO3S/c1-7(2)10(15)6-14-18(16,17)11-8(12)4-3-5-9(11)13/h3-5,7,10,14-15H,6H2,1-2H3.
What are the key properties of 2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide?
2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide has a molecular weight of 312.22 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 115754918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).