N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide

C15H20FNO2S — CID 51027081

IUPACN-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC[C@@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C15H20FNO2S/c1-10-6-14(16)4-5-15(10)20(18,19)17-9-13-8-11-2-3-12(13)7-11/h4-6,11-13,17H,2-3,7-9H2,1H3/t11-,12+,13+/m1/s1
InChIKeyRFRGJYWVOFZOFJ-AGIUHOORSA-N
MW297.39 g/mol
LogP2.85
Rot. Bonds4

About N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide

N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 51027081) has the molecular formula C15H20FNO2S and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID51027081
Molecular FormulaC15H20FNO2S
Molecular Weight297.39 g/mol
Exact Mass297.12
IUPAC NameN-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC[C@@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C15H20FNO2S/c1-10-6-14(16)4-5-15(10)20(18,19)17-9-13-8-11-2-3-12(13)7-11/h4-6,11-13,17H,2-3,7-9H2,1H3/t11-,12+,13+/m1/s1
InChIKeyRFRGJYWVOFZOFJ-AGIUHOORSA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide with MolForge

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Related Compounds

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide
CID 100690195
N-[[2-(bromomethyl)cyclohexyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114295478
N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 106136234
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide
CID 112702559
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide
CID 106064052
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63686492
4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 63683453
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline
CID 79554094
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-difluoroaniline
CID 79554182
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline
CID 79554345
2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 113463613
5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 64913291

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide (CID 51027081) is N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is RFRGJYWVOFZOFJ-AGIUHOORSA-N. The full InChI is InChI=1S/C15H20FNO2S/c1-10-6-14(16)4-5-15(10)20(18,19)17-9-13-8-11-2-3-12(13)7-11/h4-6,11-13,17H,2-3,7-9H2,1H3/t11-,12+,13+/m1/s1.
What are the key properties of N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 297.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 51027081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).