3-(aminomethyl)-4-fluoro-N-methyl-N-propylbenzenesulfonamide

C11H17FN2O2S — CID 63287989

IUPAC3-(aminomethyl)-4-fluoro-N-methyl-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C11H17FN2O2S/c1-3-6-14(2)17(15,16)10-4-5-11(12)9(7-10)8-13/h4-5,7H,3,6,8,13H2,1-2H3
InChIKeyABDVPYNLAOXFGA-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.31
Rot. Bonds5

About 3-(aminomethyl)-4-fluoro-N-methyl-N-propylbenzenesulfonamide

3-(aminomethyl)-4-fluoro-N-methyl-N-propylbenzenesulfonamide (PubChem CID 63287989) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-(aminomethyl)-4-fluoro-N-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-fluoro-N-methyl-N-propylbenzenesulfonamide
PubChem CID63287989
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC Name3-(aminomethyl)-4-fluoro-N-methyl-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C11H17FN2O2S/c1-3-6-14(2)17(15,16)10-4-5-11(12)9(7-10)8-13/h4-5,7H,3,6,8,13H2,1-2H3
InChIKeyABDVPYNLAOXFGA-UHFFFAOYSA-N
XLogP1.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112667293
3-(aminomethyl)-4-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63288906
3-(aminomethyl)-N-butyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63288066
4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide
CID 82843782
3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63288985
3-(aminomethyl)-4-fluoro-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 63288206
2-[[3-(aminomethyl)-4-fluorophenyl]sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 63288245
3-(aminomethyl)-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzenesulfonamide
CID 63288634
N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 62685889
3-(aminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948850
3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63287839
3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63287982

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-fluoro-N-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-fluoro-N-methyl-N-propylbenzenesulfonamide (CID 63287989) is 3-(aminomethyl)-4-fluoro-N-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-fluoro-N-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-fluoro-N-methyl-N-propylbenzenesulfonamide is CCCN(C)S(=O)(=O)c1ccc(F)c(CN)c1.
What is the InChIKey of 3-(aminomethyl)-4-fluoro-N-methyl-N-propylbenzenesulfonamide?
The InChIKey is ABDVPYNLAOXFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-3-6-14(2)17(15,16)10-4-5-11(12)9(7-10)8-13/h4-5,7H,3,6,8,13H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4-fluoro-N-methyl-N-propylbenzenesulfonamide?
3-(aminomethyl)-4-fluoro-N-methyl-N-propylbenzenesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-fluoro-N-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 63287989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).