N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide

C16H18FNO2S — CID 2697045

IUPACN-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide
SMILESCC[C@H](C)c1ccc(NS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H18FNO2S/c1-3-12(2)13-8-10-14(11-9-13)18-21(19,20)16-7-5-4-6-15(16)17/h4-12,18H,3H2,1-2H3/t12-/m0/s1
InChIKeyUFWQMIYTFJVLOX-LBPRGKRZSA-N
MW307.39 g/mol
LogP4.14
Rot. Bonds5

About N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide

N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide (PubChem CID 2697045) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide
PubChem CID2697045
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC NameN-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide
SMILESCC[C@H](C)c1ccc(NS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H18FNO2S/c1-3-12(2)13-8-10-14(11-9-13)18-21(19,20)16-7-5-4-6-15(16)17/h4-12,18H,3H2,1-2H3/t12-/m0/s1
InChIKeyUFWQMIYTFJVLOX-LBPRGKRZSA-N
XLogP4.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106911076
4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500871
4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17388091
N-[4-[(2S)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697049
N-[4-[(2R)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697047
4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580823
4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 22774845
4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 22774481
N-(4-butan-2-ylphenyl)-1,1,2,2,2-pentafluoroethanesulfonamide
CID 90250925
4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 2524649
N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide
CID 60709307

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide (CID 2697045) is N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide is CC[C@H](C)c1ccc(NS(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide?
The InChIKey is UFWQMIYTFJVLOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-3-12(2)13-8-10-14(11-9-13)18-21(19,20)16-7-5-4-6-15(16)17/h4-12,18H,3H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide?
N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide has a molecular weight of 307.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 2697045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).