2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3,6-dimethylbenzenesulfonamide

C13H19Cl2NO3S2 — CID 103912604

IUPAC2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3,6-dimethylbenzenesulfonamide
SMILESCSC(CO)C(C)NS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl
InChIInChI=1S/C13H19Cl2NO3S2/c1-7-5-10(14)8(2)13(12(7)15)21(18,19)16-9(3)11(6-17)20-4/h5,9,11,16-17H,6H2,1-4H3
InChIKeyYBPRDTBJSNAHFP-UHFFFAOYSA-N
MW372.34 g/mol
LogP3.00
Rot. Bonds6

About 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3,6-dimethylbenzenesulfonamide

2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3,6-dimethylbenzenesulfonamide (PubChem CID 103912604) has the molecular formula C13H19Cl2NO3S2 and a molecular weight of 372.34 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3,6-dimethylbenzenesulfonamide
PubChem CID103912604
Molecular FormulaC13H19Cl2NO3S2
Molecular Weight372.34 g/mol
Exact Mass371.02
IUPAC Name2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3,6-dimethylbenzenesulfonamide
SMILESCSC(CO)C(C)NS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl
InChIInChI=1S/C13H19Cl2NO3S2/c1-7-5-10(14)8(2)13(12(7)15)21(18,19)16-9(3)11(6-17)20-4/h5,9,11,16-17H,6H2,1-4H3
InChIKeyYBPRDTBJSNAHFP-UHFFFAOYSA-N
XLogP3.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3,6-dimethylbenzenesulfonamide with MolForge

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Related Compounds

3-amino-5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylbenzenesulfonamide
CID 106153506
5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbenzenesulfonamide
CID 103861066
5-amino-2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106153355
3-amino-4-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106153557
N-(1-aminobutan-2-yl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
CID 65193954
3-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 103861133
3-chloro-4-cyano-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 103861189
2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-nitrobenzenesulfonamide
CID 103912573
4-[(2,5-dichloro-3,6-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 81067188
4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 106156117
3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-2-methylbenzoic acid
CID 106156096
2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonylamino]oxyacetic acid
CID 60661414

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3,6-dimethylbenzenesulfonamide (CID 103912604) is 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3,6-dimethylbenzenesulfonamide is CSC(CO)C(C)NS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3,6-dimethylbenzenesulfonamide?
The InChIKey is YBPRDTBJSNAHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO3S2/c1-7-5-10(14)8(2)13(12(7)15)21(18,19)16-9(3)11(6-17)20-4/h5,9,11,16-17H,6H2,1-4H3.
What are the key properties of 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3,6-dimethylbenzenesulfonamide?
2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3,6-dimethylbenzenesulfonamide has a molecular weight of 372.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 103912604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).