N-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide

C16H18FNO2S — CID 68896231

IUPACN-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccccc1F
InChIInChI=1S/C16H18FNO2S/c1-16(2,3)18-21(19,20)15-11-7-5-9-13(15)12-8-4-6-10-14(12)17/h4-11,18H,1-3H3
InChIKeyQYKBXMCCBMZWFR-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.57
Rot. Bonds3

About N-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide

N-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide (PubChem CID 68896231) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is N-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide
PubChem CID68896231
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC NameN-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccccc1F
InChIInChI=1S/C16H18FNO2S/c1-16(2,3)18-21(19,20)15-11-7-5-9-13(15)12-8-4-6-10-14(12)17/h4-11,18H,1-3H3
InChIKeyQYKBXMCCBMZWFR-UHFFFAOYSA-N
XLogP3.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminophenyl)-N-tert-butylbenzenesulfonamide
CID 18545780
N-tert-butyl-2,3-difluorobenzenesulfonamide
CID 167068212
2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 21078666
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111266790
N-tert-butyl-2-methoxybenzenesulfonamide
CID 23448664
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-methylboronamidic acid
CID 21347810
N-tert-butyl-2-[4-(5,6-diaminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide
CID 90313552
N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 103697710
N-tert-butyl-3-fluoro-2-pyridin-3-ylbenzenesulfonamide
CID 175711692
2-[[2-(tert-butylsulfamoyl)phenyl]methyl]-1-ethyl-3-[(2-fluorophenyl)methyl]guanidine
CID 111264847
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 114008662

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide (CID 68896231) is N-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccccc1F.
What is the InChIKey of N-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide?
The InChIKey is QYKBXMCCBMZWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-16(2,3)18-21(19,20)15-11-7-5-9-13(15)12-8-4-6-10-14(12)17/h4-11,18H,1-3H3.
What are the key properties of N-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide?
N-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide has a molecular weight of 307.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 68896231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).