1-(4-fluorophenyl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide

C22H32FN3O4S — CID 42916117

IUPAC1-(4-fluorophenyl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H32FN3O4S/c23-18-6-8-19(9-7-18)31(28,29)26-12-4-5-20(26)21(27)24-17-22(10-2-1-3-11-22)25-13-15-30-16-14-25/h6-9,20H,1-5,10-17H2,(H,24,27)
InChIKeyLPDSNQDUDQVPHC-UHFFFAOYSA-N
MW453.58 g/mol
LogP2.13
Rot. Bonds6

About 1-(4-fluorophenyl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 42916117) has the molecular formula C22H32FN3O4S and a molecular weight of 453.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
PubChem CID42916117
Molecular FormulaC22H32FN3O4S
Molecular Weight453.58 g/mol
Exact Mass453.21
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H32FN3O4S/c23-18-6-8-19(9-7-18)31(28,29)26-12-4-5-20(26)21(27)24-17-22(10-2-1-3-11-22)25-13-15-30-16-14-25/h6-9,20H,1-5,10-17H2,(H,24,27)
InChIKeyLPDSNQDUDQVPHC-UHFFFAOYSA-N
XLogP2.13
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide (CID 42916117) is 1-(4-fluorophenyl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide is O=C(NCC1(N2CCOCC2)CCCCC1)C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is LPDSNQDUDQVPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O4S/c23-18-6-8-19(9-7-18)31(28,29)26-12-4-5-20(26)21(27)24-17-22(10-2-1-3-11-22)25-13-15-30-16-14-25/h6-9,20H,1-5,10-17H2,(H,24,27).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 453.58 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 42916117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).