N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide

C14H20ClN3O3S — CID 119279132

IUPACN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCNCC1
InChIInChI=1S/C14H20ClN3O3S/c15-12-2-1-3-13(10-12)22(20,21)18-9-8-17-14(19)11-4-6-16-7-5-11/h1-3,10-11,16,18H,4-9H2,(H,17,19)
InChIKeyFMFHZGBVKSYUCA-UHFFFAOYSA-N
MW345.85 g/mol
LogP0.73
Rot. Bonds6

About N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide (PubChem CID 119279132) has the molecular formula C14H20ClN3O3S and a molecular weight of 345.85 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
PubChem CID119279132
Molecular FormulaC14H20ClN3O3S
Molecular Weight345.85 g/mol
Exact Mass345.09
IUPAC NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCNCC1
InChIInChI=1S/C14H20ClN3O3S/c15-12-2-1-3-13(10-12)22(20,21)18-9-8-17-14(19)11-4-6-16-7-5-11/h1-3,10-11,16,18H,4-9H2,(H,17,19)
InChIKeyFMFHZGBVKSYUCA-UHFFFAOYSA-N
XLogP0.73
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119704315
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119704304
2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide
CID 55588147
N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide
CID 119755146
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55963352
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide
CID 22721769
trans-(1S,2S)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 97339931
(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
CID 119279126
N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide
CID 119290590
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145197
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936053

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide (CID 119279132) is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide is O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCNCC1.
What is the InChIKey of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide?
The InChIKey is FMFHZGBVKSYUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3S/c15-12-2-1-3-13(10-12)22(20,21)18-9-8-17-14(19)11-4-6-16-7-5-11/h1-3,10-11,16,18H,4-9H2,(H,17,19).
What are the key properties of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide?
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide has a molecular weight of 345.85 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 119279132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).