3-fluoro-N-methyl-4-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide

C19H24FN3O2S — CID 133439673

IUPAC3-fluoro-N-methyl-4-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccccc2N2CCCCC2)c(F)c1
InChIInChI=1S/C19H24FN3O2S/c1-21-26(24,25)16-9-10-18(17(20)13-16)22-14-15-7-3-4-8-19(15)23-11-5-2-6-12-23/h3-4,7-10,13,21-22H,2,5-6,11-12,14H2,1H3
InChIKeyLTEJADOULFAOEO-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.34
Rot. Bonds6

About 3-fluoro-N-methyl-4-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide

3-fluoro-N-methyl-4-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide (PubChem CID 133439673) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide
PubChem CID133439673
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name3-fluoro-N-methyl-4-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccccc2N2CCCCC2)c(F)c1
InChIInChI=1S/C19H24FN3O2S/c1-21-26(24,25)16-9-10-18(17(20)13-16)22-14-15-7-3-4-8-19(15)23-11-5-2-6-12-23/h3-4,7-10,13,21-22H,2,5-6,11-12,14H2,1H3
InChIKeyLTEJADOULFAOEO-UHFFFAOYSA-N
XLogP3.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43772755
2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43758691
3-fluoro-2-nitro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
CID 133439770
5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43764091
3-amino-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 43449085
2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
CID 102141115
4-amino-3-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 82899212
4-nitro-2-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide
CID 133463578
4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide
CID 64693654
N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide
CID 38282895
methyl 5-nitro-2-[(2-pyrrolidin-1-ylphenyl)methylamino]benzoate
CID 55986596
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-methyl-4-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide (CID 133439673) is 3-fluoro-N-methyl-4-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-methyl-4-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-methyl-4-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NCc2ccccc2N2CCCCC2)c(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-4-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide?
The InChIKey is LTEJADOULFAOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-21-26(24,25)16-9-10-18(17(20)13-16)22-14-15-7-3-4-8-19(15)23-11-5-2-6-12-23/h3-4,7-10,13,21-22H,2,5-6,11-12,14H2,1H3.
What are the key properties of 3-fluoro-N-methyl-4-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide?
3-fluoro-N-methyl-4-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide has a molecular weight of 377.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 133439673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).