3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-4-fluoro-5-methylbenzenesulfonamide

C15H21FN2O2S — CID 106067800

IUPAC3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-4-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC3CCC2C3)cc(CN)c1F
InChIInChI=1S/C15H21FN2O2S/c1-9-4-13(7-12(8-17)15(9)16)21(19,20)18-14-6-10-2-3-11(14)5-10/h4,7,10-11,14,18H,2-3,5-6,8,17H2,1H3
InChIKeyGQNNQRJGHRHAPY-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.06
Rot. Bonds4

About 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-4-fluoro-5-methylbenzenesulfonamide

3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-4-fluoro-5-methylbenzenesulfonamide (PubChem CID 106067800) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-4-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-4-fluoro-5-methylbenzenesulfonamide
PubChem CID106067800
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-4-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC3CCC2C3)cc(CN)c1F
InChIInChI=1S/C15H21FN2O2S/c1-9-4-13(7-12(8-17)15(9)16)21(19,20)18-14-6-10-2-3-11(14)5-10/h4,7,10-11,14,18H,2-3,5-6,8,17H2,1H3
InChIKeyGQNNQRJGHRHAPY-UHFFFAOYSA-N
XLogP2.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-2,4-dimethylbenzenesulfonamide
CID 106067743
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100693831
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrrole-3-sulfonamide
CID 106067674
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
CID 11878164
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide
CID 100690195
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,4,6-trimethylbenzenesulfonamide
CID 11896359
3-(aminomethyl)-N-tert-butyl-4-fluoro-5-methylbenzenesulfonamide
CID 81435748
3-(aminomethyl)-4-fluoro-5-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113486198
3-(aminomethyl)-4-fluoro-5-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 106075398
3-(aminomethyl)-4-fluoro-5-methyl-N-phenylbenzenesulfonamide
CID 81434906
3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluoro-5-methylbenzenesulfonamide
CID 81427943
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 125048908

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-4-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-4-fluoro-5-methylbenzenesulfonamide (CID 106067800) is 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-4-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-4-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-4-fluoro-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC2CC3CCC2C3)cc(CN)c1F.
What is the InChIKey of 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-4-fluoro-5-methylbenzenesulfonamide?
The InChIKey is GQNNQRJGHRHAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c1-9-4-13(7-12(8-17)15(9)16)21(19,20)18-14-6-10-2-3-11(14)5-10/h4,7,10-11,14,18H,2-3,5-6,8,17H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-4-fluoro-5-methylbenzenesulfonamide?
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-4-fluoro-5-methylbenzenesulfonamide has a molecular weight of 312.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-4-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 106067800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).