(3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide

C15H21ClN2O4S — CID 9003807

IUPAC(3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC)C1
InChIInChI=1S/C15H21ClN2O4S/c1-3-22-13-7-6-12(16)9-14(13)23(20,21)18-8-4-5-11(10-18)15(19)17-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyAPGNUGSRZGKHDQ-LLVKDONJSA-N
MW360.86 g/mol
LogP1.89
Rot. Bonds5

About (3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide

(3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide (PubChem CID 9003807) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is (3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
PubChem CID9003807
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name(3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC)C1
InChIInChI=1S/C15H21ClN2O4S/c1-3-22-13-7-6-12(16)9-14(13)23(20,21)18-8-4-5-11(10-18)15(19)17-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyAPGNUGSRZGKHDQ-LLVKDONJSA-N
XLogP1.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2R)-butan-2-yl]-1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9003818
(3S)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550676
(3S)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide
CID 9003840
(3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 125049728
(3S)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3-cyanophenyl)piperidine-3-carboxamide
CID 125047728
N-(4-bromo-2-ethyl-6-methylphenyl)-1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 133155315
(3R)-N-(4-bromo-2-ethyl-6-methylphenyl)-1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 100796094
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 133163562
[1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133163538
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide
CID 133163564
ethyl (3R)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylate
CID 1273285
(3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]piperidine-3-carboxamide
CID 100796109

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide (CID 9003807) is (3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide is CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC)C1.
What is the InChIKey of (3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The InChIKey is APGNUGSRZGKHDQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-3-22-13-7-6-12(16)9-14(13)23(20,21)18-8-4-5-11(10-18)15(19)17-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)/t11-/m1/s1.
What are the key properties of (3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
(3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide has a molecular weight of 360.86 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 9003807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).