(2R,3R)-N-(4-bromophenyl)sulfonyl-3-(4-chlorophenyl)-5-oxomorpholine-2-carboxamide

C17H14BrClN2O5S — CID 110166865

IUPAC(2R,3R)-N-(4-bromophenyl)sulfonyl-3-(4-chlorophenyl)-5-oxomorpholine-2-carboxamide
SMILESO=C1CO[C@@H](C(=O)NS(=O)(=O)c2ccc(Br)cc2)[C@@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C17H14BrClN2O5S/c18-11-3-7-13(8-4-11)27(24,25)21-17(23)16-15(20-14(22)9-26-16)10-1-5-12(19)6-2-10/h1-8,15-16H,9H2,(H,20,22)(H,21,23)/t15-,16-/m1/s1
InChIKeyPXBKGVJQJKVKKR-HZPDHXFCSA-N
MW473.73 g/mol
LogP2.16
Rot. Bonds4

About (2R,3R)-N-(4-bromophenyl)sulfonyl-3-(4-chlorophenyl)-5-oxomorpholine-2-carboxamide

(2R,3R)-N-(4-bromophenyl)sulfonyl-3-(4-chlorophenyl)-5-oxomorpholine-2-carboxamide (PubChem CID 110166865) has the molecular formula C17H14BrClN2O5S and a molecular weight of 473.73 g/mol. Its IUPAC name is (2R,3R)-N-(4-bromophenyl)sulfonyl-3-(4-chlorophenyl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(4-bromophenyl)sulfonyl-3-(4-chlorophenyl)-5-oxomorpholine-2-carboxamide
PubChem CID110166865
Molecular FormulaC17H14BrClN2O5S
Molecular Weight473.73 g/mol
Exact Mass471.95
IUPAC Name(2R,3R)-N-(4-bromophenyl)sulfonyl-3-(4-chlorophenyl)-5-oxomorpholine-2-carboxamide
SMILESO=C1CO[C@@H](C(=O)NS(=O)(=O)c2ccc(Br)cc2)[C@@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C17H14BrClN2O5S/c18-11-3-7-13(8-4-11)27(24,25)21-17(23)16-15(20-14(22)9-26-16)10-1-5-12(19)6-2-10/h1-8,15-16H,9H2,(H,20,22)(H,21,23)/t15-,16-/m1/s1
InChIKeyPXBKGVJQJKVKKR-HZPDHXFCSA-N
XLogP2.16
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.73
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(4-bromophenyl)sulfonyl-3-(4-chlorophenyl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2R,3R)-N-(4-bromophenyl)sulfonyl-3-(4-chlorophenyl)-5-oxomorpholine-2-carboxamide (CID 110166865) is (2R,3R)-N-(4-bromophenyl)sulfonyl-3-(4-chlorophenyl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2R,3R)-N-(4-bromophenyl)sulfonyl-3-(4-chlorophenyl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2R,3R)-N-(4-bromophenyl)sulfonyl-3-(4-chlorophenyl)-5-oxomorpholine-2-carboxamide is O=C1CO[C@@H](C(=O)NS(=O)(=O)c2ccc(Br)cc2)[C@@H](c2ccc(Cl)cc2)N1.
What is the InChIKey of (2R,3R)-N-(4-bromophenyl)sulfonyl-3-(4-chlorophenyl)-5-oxomorpholine-2-carboxamide?
The InChIKey is PXBKGVJQJKVKKR-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H14BrClN2O5S/c18-11-3-7-13(8-4-11)27(24,25)21-17(23)16-15(20-14(22)9-26-16)10-1-5-12(19)6-2-10/h1-8,15-16H,9H2,(H,20,22)(H,21,23)/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-N-(4-bromophenyl)sulfonyl-3-(4-chlorophenyl)-5-oxomorpholine-2-carboxamide?
(2R,3R)-N-(4-bromophenyl)sulfonyl-3-(4-chlorophenyl)-5-oxomorpholine-2-carboxamide has a molecular weight of 473.73 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(4-bromophenyl)sulfonyl-3-(4-chlorophenyl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 110166865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).