3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide

C11H15Cl2NO3S — CID 21078673

IUPAC3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(CO)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO3S/c1-7(2)11(6-15)14-18(16,17)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3
InChIKeyRMHIMMHJVWNPRD-UHFFFAOYSA-N
MW312.22 g/mol
LogP2.29
Rot. Bonds5

About 3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide

3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 21078673) has the molecular formula C11H15Cl2NO3S and a molecular weight of 312.22 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
PubChem CID21078673
Molecular FormulaC11H15Cl2NO3S
Molecular Weight312.22 g/mol
Exact Mass311.01
IUPAC Name3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(CO)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO3S/c1-7(2)11(6-15)14-18(16,17)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3
InChIKeyRMHIMMHJVWNPRD-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

3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 79255139
3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502121
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide
CID 79255723
N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 73191893
N-(1-hydroxy-3-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 79255969
5-amino-2-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248425
(2R)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 2451311
3-(dimethylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 71911224
3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 8893168
4-chloro-2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79255603
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
4-chloro-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]benzoic acid
CID 79254529

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide (CID 21078673) is 3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide is CC(C)C(CO)NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is RMHIMMHJVWNPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO3S/c1-7(2)11(6-15)14-18(16,17)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3.
What are the key properties of 3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
3,4-dichloro-N-(1-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 3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 21078673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).