3-(aminomethyl)-N-cyclopropyl-4-fluorobenzenesulfonamide

C10H13FN2O2S — CID 28716636

IUPAC3-(aminomethyl)-N-cyclopropyl-4-fluorobenzenesulfonamide
SMILESNCc1cc(S(=O)(=O)NC2CC2)ccc1F
InChIInChI=1S/C10H13FN2O2S/c11-10-4-3-9(5-7(10)6-12)16(14,15)13-8-1-2-8/h3-5,8,13H,1-2,6,12H2
InChIKeyOMYBBBUCBIEDMC-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.73
Rot. Bonds4

About 3-(aminomethyl)-N-cyclopropyl-4-fluorobenzenesulfonamide

3-(aminomethyl)-N-cyclopropyl-4-fluorobenzenesulfonamide (PubChem CID 28716636) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclopropyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclopropyl-4-fluorobenzenesulfonamide
PubChem CID28716636
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name3-(aminomethyl)-N-cyclopropyl-4-fluorobenzenesulfonamide
SMILESNCc1cc(S(=O)(=O)NC2CC2)ccc1F
InChIInChI=1S/C10H13FN2O2S/c11-10-4-3-9(5-7(10)6-12)16(14,15)13-8-1-2-8/h3-5,8,13H,1-2,6,12H2
InChIKeyOMYBBBUCBIEDMC-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 3-(aminomethyl)-N-cyclopropyl-4-fluorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-cyclopropyl-4-fluorobenzenesulfonamide (CID 28716636) is 3-(aminomethyl)-N-cyclopropyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-cyclopropyl-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-cyclopropyl-4-fluorobenzenesulfonamide is NCc1cc(S(=O)(=O)NC2CC2)ccc1F.
What is the InChIKey of 3-(aminomethyl)-N-cyclopropyl-4-fluorobenzenesulfonamide?
The InChIKey is OMYBBBUCBIEDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c11-10-4-3-9(5-7(10)6-12)16(14,15)13-8-1-2-8/h3-5,8,13H,1-2,6,12H2.
What are the key properties of 3-(aminomethyl)-N-cyclopropyl-4-fluorobenzenesulfonamide?
3-(aminomethyl)-N-cyclopropyl-4-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 3-(aminomethyl)-N-cyclopropyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 28716636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).