N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide

C16H18FNO2S — CID 4678520

IUPACN-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
SMILESCCC(C)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO2S/c1-3-12(2)15-6-4-5-7-16(15)18-21(19,20)14-10-8-13(17)9-11-14/h4-12,18H,3H2,1-2H3
InChIKeyBEUNGZJVPASQTK-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.14
Rot. Bonds5

About N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide

N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide (PubChem CID 4678520) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
PubChem CID4678520
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC NameN-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
SMILESCCC(C)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO2S/c1-3-12(2)15-6-4-5-7-16(15)18-21(19,20)14-10-8-13(17)9-11-14/h4-12,18H,3H2,1-2H3
InChIKeyBEUNGZJVPASQTK-UHFFFAOYSA-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

N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 3862587
N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 26012723
N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide
CID 25036710
N-[2-[(2R)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055938
N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055939
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822857
4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53277912
N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 22774422
N-[2-[(2R)-butan-2-yl]phenyl]thiophene-2-sulfonamide
CID 7949986
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 1122525
N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide (CID 4678520) is N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide is CCC(C)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is BEUNGZJVPASQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-3-12(2)15-6-4-5-7-16(15)18-21(19,20)14-10-8-13(17)9-11-14/h4-12,18H,3H2,1-2H3.
What are the key properties of N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide?
N-(2-butan-2-ylphenyl)-4-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-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 4678520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).