N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide

C15H20ClN3O4S — CID 5128958

IUPACN-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide
SMILESO=C(NC1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C15H20ClN3O4S/c16-12-3-5-13(6-4-12)24(21,22)19-7-1-2-14(19)17-15(20)18-8-10-23-11-9-18/h3-6,14H,1-2,7-11H2,(H,17,20)
InChIKeyRWDTUIPBSYGQJR-UHFFFAOYSA-N
MW373.86 g/mol
LogP1.49
Rot. Bonds3

About N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide

N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide (PubChem CID 5128958) has the molecular formula C15H20ClN3O4S and a molecular weight of 373.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide
PubChem CID5128958
Molecular FormulaC15H20ClN3O4S
Molecular Weight373.86 g/mol
Exact Mass373.09
IUPAC NameN-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide
SMILESO=C(NC1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C15H20ClN3O4S/c16-12-3-5-13(6-4-12)24(21,22)19-7-1-2-14(19)17-15(20)18-8-10-23-11-9-18/h3-6,14H,1-2,7-11H2,(H,17,20)
InChIKeyRWDTUIPBSYGQJR-UHFFFAOYSA-N
XLogP1.49
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide (CID 5128958) is N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide is O=C(NC1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide?
The InChIKey is RWDTUIPBSYGQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O4S/c16-12-3-5-13(6-4-12)24(21,22)19-7-1-2-14(19)17-15(20)18-8-10-23-11-9-18/h3-6,14H,1-2,7-11H2,(H,17,20).
What are the key properties of N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide?
N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide has a molecular weight of 373.86 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 5128958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).