N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide

C14H20ClN3O3S — CID 43072355

IUPACN-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1Cl
InChIInChI=1S/C14H20ClN3O3S/c1-10(12-4-2-3-5-13(12)15)17-14(19)11-6-8-18(9-7-11)22(16,20)21/h2-5,10-11H,6-9H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyAPJWOWFSKUZLLY-UHFFFAOYSA-N
MW345.85 g/mol
LogP1.43
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide

N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide (PubChem CID 43072355) has the molecular formula C14H20ClN3O3S and a molecular weight of 345.85 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide
PubChem CID43072355
Molecular FormulaC14H20ClN3O3S
Molecular Weight345.85 g/mol
Exact Mass345.09
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1Cl
InChIInChI=1S/C14H20ClN3O3S/c1-10(12-4-2-3-5-13(12)15)17-14(19)11-6-8-18(9-7-11)22(16,20)21/h2-5,10-11H,6-9H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyAPJWOWFSKUZLLY-UHFFFAOYSA-N
XLogP1.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 46437870
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 25359789
1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 26002595
(2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid
CID 119367985
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802369
1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
CID 112762584
N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 113002892
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 99131182
1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 55577188
1-[[(1S)-1-(2-chlorophenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015572
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 17481326

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide (CID 43072355) is N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide is CC(NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide?
The InChIKey is APJWOWFSKUZLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3S/c1-10(12-4-2-3-5-13(12)15)17-14(19)11-6-8-18(9-7-11)22(16,20)21/h2-5,10-11H,6-9H2,1H3,(H,17,19)(H2,16,20,21).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide?
N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide has a molecular weight of 345.85 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide is sourced from PubChem (CID 43072355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).