1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide

C17H24ClN3O4S — CID 3878760

IUPAC1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O4S/c18-14-3-5-15(6-4-14)26(23,24)21-8-1-2-16(21)17(22)19-7-9-20-10-12-25-13-11-20/h3-6,16H,1-2,7-13H2,(H,19,22)
InChIKeyNYGGORMBEISVGO-UHFFFAOYSA-N
MW401.92 g/mol
LogP0.94
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 3878760) has the molecular formula C17H24ClN3O4S and a molecular weight of 401.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
PubChem CID3878760
Molecular FormulaC17H24ClN3O4S
Molecular Weight401.92 g/mol
Exact Mass401.12
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O4S/c18-14-3-5-15(6-4-14)26(23,24)21-8-1-2-16(21)17(22)19-7-9-20-10-12-25-13-11-20/h3-6,16H,1-2,7-13H2,(H,19,22)
InChIKeyNYGGORMBEISVGO-UHFFFAOYSA-N
XLogP0.94
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide (CID 3878760) is 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide is O=C(NCCN1CCOCC1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is NYGGORMBEISVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O4S/c18-14-3-5-15(6-4-14)26(23,24)21-8-1-2-16(21)17(22)19-7-9-20-10-12-25-13-11-20/h3-6,16H,1-2,7-13H2,(H,19,22).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 401.92 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3878760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).