2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide

C11H17ClN2O2S — CID 43107543

IUPAC2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H17ClN2O2S/c1-3-4-8(2)14-17(15,16)11-6-5-9(12)7-10(11)13/h5-8,14H,3-4,13H2,1-2H3
InChIKeyQBZOCTZKADAYJW-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.39
Rot. Bonds5

About 2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide

2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide (PubChem CID 43107543) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
PubChem CID43107543
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H17ClN2O2S/c1-3-4-8(2)14-17(15,16)11-6-5-9(12)7-10(11)13/h5-8,14H,3-4,13H2,1-2H3
InChIKeyQBZOCTZKADAYJW-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-chloro-N-pentan-2-ylbenzenesulfonamide
CID 54888470
2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide
CID 43258160
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide
CID 114378688
2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide
CID 63402410
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471974
2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide
CID 113495498
2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 113495486
2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 61126634
2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide
CID 114414759
2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide
CID 106343791

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide (CID 43107543) is 2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide is CCCC(C)NS(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is QBZOCTZKADAYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-3-4-8(2)14-17(15,16)11-6-5-9(12)7-10(11)13/h5-8,14H,3-4,13H2,1-2H3.
What are the key properties of 2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide?
2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 276.79 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43107543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).