3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C12H18FN3O2S — CID 55204348

IUPAC3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2cc(N)cc(F)c2)CC1
InChIInChI=1S/C12H18FN3O2S/c1-16-4-2-11(3-5-16)15-19(17,18)12-7-9(13)6-10(14)8-12/h6-8,11,15H,2-5,14H2,1H3
InChIKeyRPVOEZADROATGU-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.78
Rot. Bonds3

About 3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide

3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 55204348) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID55204348
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC Name3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2cc(N)cc(F)c2)CC1
InChIInChI=1S/C12H18FN3O2S/c1-16-4-2-11(3-5-16)15-19(17,18)12-7-9(13)6-10(14)8-12/h6-8,11,15H,2-5,14H2,1H3
InChIKeyRPVOEZADROATGU-UHFFFAOYSA-N
XLogP0.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-methyl-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949964
3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide
CID 63321949
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide
CID 107843583
N-cyclopropyl-3,5-difluorobenzenesulfonamide
CID 60648847
3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373442
2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
CID 34268559
3-(aminomethyl)-4-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 106025568
N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide
CID 126769864
4-amino-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 61300929
3-amino-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949568
3-amino-4-fluoro-5-methyl-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 115421440
4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373446

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 55204348) is 3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide is CN1CCC(NS(=O)(=O)c2cc(N)cc(F)c2)CC1.
What is the InChIKey of 3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is RPVOEZADROATGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c1-16-4-2-11(3-5-16)15-19(17,18)12-7-9(13)6-10(14)8-12/h6-8,11,15H,2-5,14H2,1H3.
What are the key properties of 3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 55204348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).