N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide

C15H15ClFNO2S — CID 105060281

IUPACN-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide
SMILESCC(CCl)(NS(=O)(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C15H15ClFNO2S/c1-15(11-16,12-7-3-2-4-8-12)18-21(19,20)14-10-6-5-9-13(14)17/h2-10,18H,11H2,1H3
InChIKeyZPQABSFKKRLPRO-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.26
Rot. Bonds5

About N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide

N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide (PubChem CID 105060281) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide
PubChem CID105060281
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC NameN-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide
SMILESCC(CCl)(NS(=O)(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C15H15ClFNO2S/c1-15(11-16,12-7-3-2-4-8-12)18-21(19,20)14-10-6-5-9-13(14)17/h2-10,18H,11H2,1H3
InChIKeyZPQABSFKKRLPRO-UHFFFAOYSA-N
XLogP3.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.26
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

N-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide
CID 105060280
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 114008662
2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 21078666
N-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide
CID 105060342
N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide
CID 105059916
N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 103697710
3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 113431409
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 115310559
2-ethyl-2-[(2-fluorophenyl)sulfonylamino]butanethioamide
CID 61123886
ethyl N-[(1-chloro-2-phenylpropan-2-yl)sulfamoyl]carbamate
CID 105060300
N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 105060270
2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498025

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide (CID 105060281) is N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide is CC(CCl)(NS(=O)(=O)c1ccccc1F)c1ccccc1.
What is the InChIKey of N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide?
The InChIKey is ZPQABSFKKRLPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-15(11-16,12-7-3-2-4-8-12)18-21(19,20)14-10-6-5-9-13(14)17/h2-10,18H,11H2,1H3.
What are the key properties of N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide?
N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide has a molecular weight of 327.81 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 105060281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).