2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide

C10H13Cl2NO3S — CID 65113165

IUPAC2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2NO3S/c1-10(2,14)6-13-17(15,16)9-7(11)4-3-5-8(9)12/h3-5,13-14H,6H2,1-2H3
InChIKeyAMAFYRBMSAQLSR-UHFFFAOYSA-N
MW298.19 g/mol
LogP2.04
Rot. Bonds4

About 2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide

2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (PubChem CID 65113165) has the molecular formula C10H13Cl2NO3S and a molecular weight of 298.19 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
PubChem CID65113165
Molecular FormulaC10H13Cl2NO3S
Molecular Weight298.19 g/mol
Exact Mass297.00
IUPAC Name2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2NO3S/c1-10(2,14)6-13-17(15,16)9-7(11)4-3-5-8(9)12/h3-5,13-14H,6H2,1-2H3
InChIKeyAMAFYRBMSAQLSR-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 103835588
2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide
CID 103460070
N-tert-butyl-2,6-dichlorobenzenesulfonamide
CID 3331531
3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 106546244
2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606022
N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide
CID 65112843
N-(2-amino-2-methylpropyl)-2-chloro-6-nitrobenzenesulfonamide
CID 119988199
2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115754918
3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
CID 697936
2-[(2,6-dichlorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 2128469
2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232766
4-chloro-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 65113160

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (CID 65113165) is 2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide is CC(C)(O)CNS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is AMAFYRBMSAQLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO3S/c1-10(2,14)6-13-17(15,16)9-7(11)4-3-5-8(9)12/h3-5,13-14H,6H2,1-2H3.
What are the key properties of 2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 298.19 g/mol, XLogP of 2.04, 4 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-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 65113165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).