2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C14H22FN3O2S — CID 102920256

IUPAC2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cc(F)ccc2CN)CC1
InChIInChI=1S/C14H22FN3O2S/c1-17-7-5-13(6-8-17)18(2)21(19,20)14-9-12(15)4-3-11(14)10-16/h3-4,9,13H,5-8,10,16H2,1-2H3
InChIKeyPDEFVWPSSKFSLH-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.00
Rot. Bonds4

About 2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 102920256) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID102920256
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC Name2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cc(F)ccc2CN)CC1
InChIInChI=1S/C14H22FN3O2S/c1-17-7-5-13(6-8-17)18(2)21(19,20)14-9-12(15)4-3-11(14)10-16/h3-4,9,13H,5-8,10,16H2,1-2H3
InChIKeyPDEFVWPSSKFSLH-UHFFFAOYSA-N
XLogP1.00
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 102920256) is 2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is CN1CCC(N(C)S(=O)(=O)c2cc(F)ccc2CN)CC1.
What is the InChIKey of 2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is PDEFVWPSSKFSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-17-7-5-13(6-8-17)18(2)21(19,20)14-9-12(15)4-3-11(14)10-16/h3-4,9,13H,5-8,10,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 315.41 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 102920256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).