2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide

C11H15Cl2NO2S — CID 788817

IUPAC2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
SMILESCCC[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NO2S/c1-3-4-8(2)14-17(15,16)11-7-9(12)5-6-10(11)13/h5-8,14H,3-4H2,1-2H3/t8-/m1/s1
InChIKeyFNNCKHVVXXHKKR-MRVPVSSYSA-N
MW296.22 g/mol
LogP3.46
Rot. Bonds5

About 2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide

2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide (PubChem CID 788817) has the molecular formula C11H15Cl2NO2S and a molecular weight of 296.22 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
PubChem CID788817
Molecular FormulaC11H15Cl2NO2S
Molecular Weight296.22 g/mol
Exact Mass295.02
IUPAC Name2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
SMILESCCC[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NO2S/c1-3-4-8(2)14-17(15,16)11-7-9(12)5-6-10(11)13/h5-8,14H,3-4H2,1-2H3/t8-/m1/s1
InChIKeyFNNCKHVVXXHKKR-MRVPVSSYSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dichloro-N-[(2R)-pentan-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

2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2-amino-5-chloro-N-pentan-2-ylbenzenesulfonamide
CID 54888470
2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
CID 43107543
2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
CID 670298
3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 8893168
3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide
CID 114378688
N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 2947983
2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide
CID 63402410
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide
CID 114419120
2,5-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106356551

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide (CID 788817) is 2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide is CCC[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide?
The InChIKey is FNNCKHVVXXHKKR-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2S/c1-3-4-8(2)14-17(15,16)11-7-9(12)5-6-10(11)13/h5-8,14H,3-4H2,1-2H3/t8-/m1/s1.
What are the key properties of 2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide?
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide has a molecular weight of 296.22 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 788817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).