4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide

C16H22FNO2S — CID 2817589

IUPAC4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
SMILESCC1(C)C2CCC1(C)C(NS(=O)(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C16H22FNO2S/c1-15(2)11-8-9-16(15,3)14(10-11)18-21(19,20)13-6-4-12(17)5-7-13/h4-7,11,14,18H,8-10H2,1-3H3
InChIKeyMIUIMWWUHROYHQ-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.32
Rot. Bonds3

About 4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide

4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide (PubChem CID 2817589) has the molecular formula C16H22FNO2S and a molecular weight of 311.42 g/mol. Its IUPAC name is 4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
PubChem CID2817589
Molecular FormulaC16H22FNO2S
Molecular Weight311.42 g/mol
Exact Mass311.14
IUPAC Name4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
SMILESCC1(C)C2CCC1(C)C(NS(=O)(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C16H22FNO2S/c1-15(2)11-8-9-16(15,3)14(10-11)18-21(19,20)13-6-4-12(17)5-7-13/h4-7,11,14,18H,8-10H2,1-3H3
InChIKeyMIUIMWWUHROYHQ-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-(3-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 3471422
4-fluoro-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
CID 7200833
N-Bicyclo[2.2.1]hept-2-yl-4-methylbenzenesulfonamide
CID 573551
p-Toluenesulfonamide, N-2-bornyl-, endo-(+-)-
CID 212648
[(4-Fluorophenyl)sulfonyl](1,3,3-trimethylbicyclo[2.2.1]hept-2-yl)amine
CID 3743359
N-(1-bicyclo[2.2.1]hept-2-ylethyl)benzenesulfonamide
CID 4584936
4-Fluoro-N-(1,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-benzenesulfonamide
CID 44313401
4-Bromo-N-(1,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-benzenesulfonamide
CID 44313410
N-bicyclo[2.2.1]hept-2-yl-4-fluorobenzenesulfonamide
CID 2893042
4-fluoro-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
CID 6932703
4-fluoro-N-[(2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
CID 44313402
4-Chloro-N-(1,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-benzenesulfonamide
CID 44313421

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide (CID 2817589) is 4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide is CC1(C)C2CCC1(C)C(NS(=O)(=O)c1ccc(F)cc1)C2.
What is the InChIKey of 4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide?
The InChIKey is MIUIMWWUHROYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2S/c1-15(2)11-8-9-16(15,3)14(10-11)18-21(19,20)13-6-4-12(17)5-7-13/h4-7,11,14,18H,8-10H2,1-3H3.
What are the key properties of 4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide?
4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide has a molecular weight of 311.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide is sourced from PubChem (CID 2817589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).