N-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide

C10H13ClFNO2S — CID 65033552

IUPACN-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide
SMILESCCC(CCl)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C10H13ClFNO2S/c1-2-9(7-11)13-16(14,15)10-5-3-4-8(12)6-10/h3-6,9,13H,2,7H2,1H3
InChIKeyRZTOATWDERIDOK-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.12
Rot. Bonds5

About N-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide

N-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide (PubChem CID 65033552) has the molecular formula C10H13ClFNO2S and a molecular weight of 265.74 g/mol. Its IUPAC name is N-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide
PubChem CID65033552
Molecular FormulaC10H13ClFNO2S
Molecular Weight265.74 g/mol
Exact Mass265.03
IUPAC NameN-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide
SMILESCCC(CCl)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C10H13ClFNO2S/c1-2-9(7-11)13-16(14,15)10-5-3-4-8(12)6-10/h3-6,9,13H,2,7H2,1H3
InChIKeyRZTOATWDERIDOK-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.12
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

3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride
CID 43108680
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 103887495
N-(2-aminobutyl)-3-fluorobenzenesulfonamide
CID 63731601
N-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 63766194
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
N-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide
CID 65033930
N-benzhydryl-3-fluorobenzenesulfonamide
CID 3697866
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
N-(1-chlorobutan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 65033438
3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide
CID 60874171
N-pentan-3-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106032210
3-[[(3-fluorophenyl)methylamino]methyl]-N-propan-2-ylbenzenesulfonamide
CID 47620145

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide (CID 65033552) is N-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide is CCC(CCl)NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide?
The InChIKey is RZTOATWDERIDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2S/c1-2-9(7-11)13-16(14,15)10-5-3-4-8(12)6-10/h3-6,9,13H,2,7H2,1H3.
What are the key properties of N-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide?
N-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide has a molecular weight of 265.74 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 65033552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).