1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide

C13H18ClN3O3S — CID 61113715

IUPAC1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1S(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H18ClN3O3S/c1-16-13(18)11-4-2-3-7-17(11)21(19,20)12-8-9(15)5-6-10(12)14/h5-6,8,11H,2-4,7,15H2,1H3,(H,16,18)
InChIKeyGKZONZRNUCMJET-UHFFFAOYSA-N
MW331.83 g/mol
LogP1.21
Rot. Bonds3

About 1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide

1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide (PubChem CID 61113715) has the molecular formula C13H18ClN3O3S and a molecular weight of 331.83 g/mol. Its IUPAC name is 1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide
PubChem CID61113715
Molecular FormulaC13H18ClN3O3S
Molecular Weight331.83 g/mol
Exact Mass331.08
IUPAC Name1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1S(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H18ClN3O3S/c1-16-13(18)11-4-2-3-7-17(11)21(19,20)12-8-9(15)5-6-10(12)14/h5-6,8,11H,2-4,7,15H2,1H3,(H,16,18)
InChIKeyGKZONZRNUCMJET-UHFFFAOYSA-N
XLogP1.21
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 51.21
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

1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 61112037
1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
CID 47305164
1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985656
1-(4-chloro-2-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
CID 47305063
1-[(4-aminophenyl)methylsulfonyl]-N-methylpiperidine-2-carboxamide
CID 61112031
(2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 2100876
1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N-methylpiperidine-2-carboxamide
CID 61046496
1-[(3-aminophenyl)methylsulfonyl]-N-methylpiperidine-2-carboxamide
CID 61112035
1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 61112044
N-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide
CID 51126448
1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61114622
1-[4-(bromomethyl)phenyl]sulfonyl-N-methylpiperidine-2-carboxamide
CID 65480615

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide (CID 61113715) is 1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1S(=O)(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide?
The InChIKey is GKZONZRNUCMJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3S/c1-16-13(18)11-4-2-3-7-17(11)21(19,20)12-8-9(15)5-6-10(12)14/h5-6,8,11H,2-4,7,15H2,1H3,(H,16,18).
What are the key properties of 1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide?
1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide has a molecular weight of 331.83 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 61113715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).