2-(2-chloro-4-methylpentan-3-yl)-N-cyclopropylbenzenesulfonamide

C15H22ClNO2S — CID 63205165

IUPAC2-(2-chloro-4-methylpentan-3-yl)-N-cyclopropylbenzenesulfonamide
SMILESCC(C)C(c1ccccc1S(=O)(=O)NC1CC1)C(C)Cl
InChIInChI=1S/C15H22ClNO2S/c1-10(2)15(11(3)16)13-6-4-5-7-14(13)20(18,19)17-12-8-9-12/h4-7,10-12,15,17H,8-9H2,1-3H3
InChIKeyROAAHTNUKVNHOJ-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.49
Rot. Bonds6

About 2-(2-chloro-4-methylpentan-3-yl)-N-cyclopropylbenzenesulfonamide

2-(2-chloro-4-methylpentan-3-yl)-N-cyclopropylbenzenesulfonamide (PubChem CID 63205165) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is 2-(2-chloro-4-methylpentan-3-yl)-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-chloro-4-methylpentan-3-yl)-N-cyclopropylbenzenesulfonamide
PubChem CID63205165
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name2-(2-chloro-4-methylpentan-3-yl)-N-cyclopropylbenzenesulfonamide
SMILESCC(C)C(c1ccccc1S(=O)(=O)NC1CC1)C(C)Cl
InChIInChI=1S/C15H22ClNO2S/c1-10(2)15(11(3)16)13-6-4-5-7-14(13)20(18,19)17-12-8-9-12/h4-7,10-12,15,17H,8-9H2,1-3H3
InChIKeyROAAHTNUKVNHOJ-UHFFFAOYSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide
CID 55220897
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432
2-[2-(cyclopropylsulfamoyl)phenyl]pentanoic acid
CID 104571930
4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid
CID 69166315
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653542
2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide
CID 63203328
2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid
CID 43468799
N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 65036251
N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide
CID 63925494
N-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide
CID 65033519

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylpentan-3-yl)-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 2-(2-chloro-4-methylpentan-3-yl)-N-cyclopropylbenzenesulfonamide (CID 63205165) is 2-(2-chloro-4-methylpentan-3-yl)-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 2-(2-chloro-4-methylpentan-3-yl)-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 2-(2-chloro-4-methylpentan-3-yl)-N-cyclopropylbenzenesulfonamide is CC(C)C(c1ccccc1S(=O)(=O)NC1CC1)C(C)Cl.
What is the InChIKey of 2-(2-chloro-4-methylpentan-3-yl)-N-cyclopropylbenzenesulfonamide?
The InChIKey is ROAAHTNUKVNHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-10(2)15(11(3)16)13-6-4-5-7-14(13)20(18,19)17-12-8-9-12/h4-7,10-12,15,17H,8-9H2,1-3H3.
What are the key properties of 2-(2-chloro-4-methylpentan-3-yl)-N-cyclopropylbenzenesulfonamide?
2-(2-chloro-4-methylpentan-3-yl)-N-cyclopropylbenzenesulfonamide has a molecular weight of 315.87 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylpentan-3-yl)-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 63205165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).