1-(2-amino-5-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide

C13H18FN3O3S — CID 61139549

IUPAC1-(2-amino-5-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H18FN3O3S/c1-8-2-3-9(13(16)18)7-17(8)21(19,20)12-6-10(14)4-5-11(12)15/h4-6,8-9H,2-3,7,15H2,1H3,(H2,16,18)
InChIKeyICSZIHKSQOTESL-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.68
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide

1-(2-amino-5-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide (PubChem CID 61139549) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide
PubChem CID61139549
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC Name1-(2-amino-5-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H18FN3O3S/c1-8-2-3-9(13(16)18)7-17(8)21(19,20)12-6-10(14)4-5-11(12)15/h4-6,8-9H,2-3,7,15H2,1H3,(H2,16,18)
InChIKeyICSZIHKSQOTESL-UHFFFAOYSA-N
XLogP0.68
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.68
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

4-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542775
1-(2-amino-5-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114677579
(3S,6S)-1-(4-methoxy-2-nitrophenyl)sulfonyl-6-methylpiperidine-3-carboxamide
CID 51957405
1-(5-chloro-2-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxylic acid
CID 122104589
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-fluoroaniline
CID 93398177
(3R,6R)-6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95663554
4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052783
(3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 94895330
(3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide
CID 129419068
1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide
CID 106266279
4-fluoro-2-(2-methylazepan-1-yl)sulfonylbenzoic acid
CID 102919549
6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide
CID 47268283

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-5-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide (CID 61139549) is 1-(2-amino-5-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1S(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide?
The InChIKey is ICSZIHKSQOTESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c1-8-2-3-9(13(16)18)7-17(8)21(19,20)12-6-10(14)4-5-11(12)15/h4-6,8-9H,2-3,7,15H2,1H3,(H2,16,18).
What are the key properties of 1-(2-amino-5-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide?
1-(2-amino-5-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 61139549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).