2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide

C11H15Cl2NO3S — CID 113318363

IUPAC2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(CO)C(C)NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO3S/c1-7(6-15)8(2)14-18(16,17)10-5-3-4-9(12)11(10)13/h3-5,7-8,14-15H,6H2,1-2H3
InChIKeyARWBAHONVQYOLY-UHFFFAOYSA-N
MW312.22 g/mol
LogP2.29
Rot. Bonds5

About 2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide

2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 113318363) has the molecular formula C11H15Cl2NO3S and a molecular weight of 312.22 g/mol. Its IUPAC name is 2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
PubChem CID113318363
Molecular FormulaC11H15Cl2NO3S
Molecular Weight312.22 g/mol
Exact Mass311.01
IUPAC Name2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(CO)C(C)NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO3S/c1-7(6-15)8(2)14-18(16,17)10-5-3-4-9(12)11(10)13/h3-5,7-8,14-15H,6H2,1-2H3
InChIKeyARWBAHONVQYOLY-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

2,3-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837084
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
(2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 61137287
2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912476
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 65314246
4-chloro-N-(4-hydroxy-3-methylbutan-2-yl)-2-nitrobenzenesulfonamide
CID 115754829
2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271143
2-chloro-N-[(2S)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832456
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832457
N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
CID 104873370
4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 113484662
2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673104

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide (CID 113318363) is 2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide is CC(CO)C(C)NS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is ARWBAHONVQYOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO3S/c1-7(6-15)8(2)14-18(16,17)10-5-3-4-9(12)11(10)13/h3-5,7-8,14-15H,6H2,1-2H3.
What are the key properties of 2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)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 2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 113318363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).