2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide

C11H16Cl2N2O3S — CID 79248033

IUPAC2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
SMILESCC(C)[C@@H](CO)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O3S/c1-6(2)10(5-16)15-19(17,18)11-8(13)3-7(12)4-9(11)14/h3-4,6,10,15-16H,5,14H2,1-2H3/t10-/m1/s1
InChIKeyJTMXFVQBOHIZPL-SNVBAGLBSA-N
MW327.23 g/mol
LogP1.87
Rot. Bonds5

About 2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide

2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide (PubChem CID 79248033) has the molecular formula C11H16Cl2N2O3S and a molecular weight of 327.23 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
PubChem CID79248033
Molecular FormulaC11H16Cl2N2O3S
Molecular Weight327.23 g/mol
Exact Mass326.03
IUPAC Name2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
SMILESCC(C)[C@@H](CO)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O3S/c1-6(2)10(5-16)15-19(17,18)11-8(13)3-7(12)4-9(11)14/h3-4,6,10,15-16H,5,14H2,1-2H3/t10-/m1/s1
InChIKeyJTMXFVQBOHIZPL-SNVBAGLBSA-N
XLogP1.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83178059
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2,6-dimethylbenzenesulfonamide
CID 79588447
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 79588527
5-amino-2-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248425
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide
CID 79247641
3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 21078673
2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61126235
2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62842182
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79248106
2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide
CID 61111383
4-chloro-2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79255603
2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327833

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide (CID 79248033) is 2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide is CC(C)[C@@H](CO)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide?
The InChIKey is JTMXFVQBOHIZPL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16Cl2N2O3S/c1-6(2)10(5-16)15-19(17,18)11-8(13)3-7(12)4-9(11)14/h3-4,6,10,15-16H,5,14H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide?
2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide has a molecular weight of 327.23 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 79248033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).