4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide

C12H17FN2O2S — CID 79186964

IUPAC4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1ccc(CN)cc1F
InChIInChI=1S/C12H17FN2O2S/c1-2-15(10-4-5-10)18(16,17)12-6-3-9(8-14)7-11(12)13/h3,6-7,10H,2,4-5,8,14H2,1H3
InChIKeyJYBLAMBFRLGYBN-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.46
Rot. Bonds5

About 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide

4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide (PubChem CID 79186964) has the molecular formula C12H17FN2O2S and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide
PubChem CID79186964
Molecular FormulaC12H17FN2O2S
Molecular Weight272.35 g/mol
Exact Mass272.10
IUPAC Name4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1ccc(CN)cc1F
InChIInChI=1S/C12H17FN2O2S/c1-2-15(10-4-5-10)18(16,17)12-6-3-9(8-14)7-11(12)13/h3,6-7,10H,2,4-5,8,14H2,1H3
InChIKeyJYBLAMBFRLGYBN-UHFFFAOYSA-N
XLogP1.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide (CID 79186964) is 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide is CCN(C1CC1)S(=O)(=O)c1ccc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide?
The InChIKey is JYBLAMBFRLGYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-2-15(10-4-5-10)18(16,17)12-6-3-9(8-14)7-11(12)13/h3,6-7,10H,2,4-5,8,14H2,1H3.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide?
4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide has a molecular weight of 272.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 79186964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).