2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

C10H12Cl3NO3S — CID 43501855

IUPAC2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl3NO3S/c1-10(2,5-15)14-18(16,17)9-7(12)3-6(11)4-8(9)13/h3-4,14-15H,5H2,1-2H3
InChIKeyHBJRSYXIPGPWFA-UHFFFAOYSA-N
MW332.64 g/mol
LogP2.70
Rot. Bonds4

About 2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide (PubChem CID 43501855) has the molecular formula C10H12Cl3NO3S and a molecular weight of 332.64 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
PubChem CID43501855
Molecular FormulaC10H12Cl3NO3S
Molecular Weight332.64 g/mol
Exact Mass330.96
IUPAC Name2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl3NO3S/c1-10(2,5-15)14-18(16,17)9-7(12)3-6(11)4-8(9)13/h3-4,14-15H,5H2,1-2H3
InChIKeyHBJRSYXIPGPWFA-UHFFFAOYSA-N
XLogP2.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.64
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 103050568
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 106606276
2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 60823008
4-amino-2,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 54889018
2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid
CID 43361631
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide
CID 115310018
2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327833
methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate
CID 43624222
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzenesulfonamide
CID 43416599
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2-nitrobenzenesulfonamide
CID 43501924
2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498629
2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616458

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide (CID 43501855) is 2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide is CC(C)(CO)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The InChIKey is HBJRSYXIPGPWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl3NO3S/c1-10(2,5-15)14-18(16,17)9-7(12)3-6(11)4-8(9)13/h3-4,14-15H,5H2,1-2H3.
What are the key properties of 2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide has a molecular weight of 332.64 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43501855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).