(1R,2R,4R)-4-(2-chlorophenyl)sulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxamide

C17H21ClN2O5S — CID 70193608

IUPAC(1R,2R,4R)-4-(2-chlorophenyl)sulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C17H21ClN2O5S/c18-14-3-1-2-4-15(14)26(23,24)11-9-12(16(19)21)13(10-11)17(22)20-5-7-25-8-6-20/h1-4,11-13H,5-10H2,(H2,19,21)/t11-,12-,13-/m1/s1
InChIKeyJSWXPAGCLPHKKJ-JHJVBQTASA-N
MW400.88 g/mol
LogP0.85
Rot. Bonds4

About (1R,2R,4R)-4-(2-chlorophenyl)sulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxamide

(1R,2R,4R)-4-(2-chlorophenyl)sulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxamide (PubChem CID 70193608) has the molecular formula C17H21ClN2O5S and a molecular weight of 400.88 g/mol. Its IUPAC name is (1R,2R,4R)-4-(2-chlorophenyl)sulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-4-(2-chlorophenyl)sulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxamide
PubChem CID70193608
Molecular FormulaC17H21ClN2O5S
Molecular Weight400.88 g/mol
Exact Mass400.09
IUPAC Name(1R,2R,4R)-4-(2-chlorophenyl)sulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C17H21ClN2O5S/c18-14-3-1-2-4-15(14)26(23,24)11-9-12(16(19)21)13(10-11)17(22)20-5-7-25-8-6-20/h1-4,11-13H,5-10H2,(H2,19,21)/t11-,12-,13-/m1/s1
InChIKeyJSWXPAGCLPHKKJ-JHJVBQTASA-N
XLogP0.85
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.88
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-4-(2-chlorophenyl)sulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxamide?
The IUPAC name of (1R,2R,4R)-4-(2-chlorophenyl)sulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxamide (CID 70193608) is (1R,2R,4R)-4-(2-chlorophenyl)sulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxamide.
What is the SMILES notation for (1R,2R,4R)-4-(2-chlorophenyl)sulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxamide?
The canonical SMILES for (1R,2R,4R)-4-(2-chlorophenyl)sulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxamide is NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)C[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of (1R,2R,4R)-4-(2-chlorophenyl)sulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxamide?
The InChIKey is JSWXPAGCLPHKKJ-JHJVBQTASA-N. The full InChI is InChI=1S/C17H21ClN2O5S/c18-14-3-1-2-4-15(14)26(23,24)11-9-12(16(19)21)13(10-11)17(22)20-5-7-25-8-6-20/h1-4,11-13H,5-10H2,(H2,19,21)/t11-,12-,13-/m1/s1.
What are the key properties of (1R,2R,4R)-4-(2-chlorophenyl)sulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxamide?
(1R,2R,4R)-4-(2-chlorophenyl)sulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxamide has a molecular weight of 400.88 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-4-(2-chlorophenyl)sulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 70193608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).