N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide

C12H18FN3O2S — CID 63257526

IUPACN-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2cc(F)ccc2N)CC1
InChIInChI=1S/C12H18FN3O2S/c1-9-4-6-16(7-5-9)19(17,18)15-12-8-10(13)2-3-11(12)14/h2-3,8-9,15H,4-7,14H2,1H3
InChIKeyCONGAMLUSCMMQO-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.80
Rot. Bonds3

About N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide

N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 63257526) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide
PubChem CID63257526
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC NameN-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2cc(F)ccc2N)CC1
InChIInChI=1S/C12H18FN3O2S/c1-9-4-6-16(7-5-9)19(17,18)15-12-8-10(13)2-3-11(12)14/h2-3,8-9,15H,4-7,14H2,1H3
InChIKeyCONGAMLUSCMMQO-UHFFFAOYSA-N
XLogP1.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 28783386
N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide
CID 55147573
N-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 104667663
N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
CID 43551097
N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 116813743
N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 112557529
N-(2,6-dichlorophenyl)-4-fluoropiperidine-1-sulfonamide;N-(2,5-difluorophenyl)-4-fluoropiperidine-1-sulfonamide
CID 89396719
N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide
CID 62316606
2-[(4-methylpiperidin-1-yl)sulfonylamino]benzenecarbothioamide
CID 28509217
N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide
CID 61400325
1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
CID 145499915
N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide
CID 102696009

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide (CID 63257526) is N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)Nc2cc(F)ccc2N)CC1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is CONGAMLUSCMMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c1-9-4-6-16(7-5-9)19(17,18)15-12-8-10(13)2-3-11(12)14/h2-3,8-9,15H,4-7,14H2,1H3.
What are the key properties of N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide?
N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 63257526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).