5-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide

C10H13FN2O2S — CID 28716198

IUPAC5-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
SMILESNCc1ccc(F)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C10H13FN2O2S/c11-9-4-1-7(6-12)5-10(9)16(14,15)13-8-2-3-8/h1,4-5,8,13H,2-3,6,12H2
InChIKeyBDGKTHBLTVFKKL-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.73
Rot. Bonds4

About 5-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide

5-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide (PubChem CID 28716198) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
PubChem CID28716198
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name5-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
SMILESNCc1ccc(F)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C10H13FN2O2S/c11-9-4-1-7(6-12)5-10(9)16(14,15)13-8-2-3-8/h1,4-5,8,13H,2-3,6,12H2
InChIKeyBDGKTHBLTVFKKL-UHFFFAOYSA-N
XLogP0.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide (CID 28716198) is 5-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide is NCc1ccc(F)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 5-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide?
The InChIKey is BDGKTHBLTVFKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c11-9-4-1-7(6-12)5-10(9)16(14,15)13-8-2-3-8/h1,4-5,8,13H,2-3,6,12H2.
What are the key properties of 5-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide?
5-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide has a molecular weight of 244.29 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 28716198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).