1-(4-chlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

C17H18ClN3O3S — CID 6460117

IUPAC1-(4-chlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccncc1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O3S/c18-14-3-5-15(6-4-14)25(23,24)21-11-1-2-16(21)17(22)20-12-13-7-9-19-10-8-13/h3-10,16H,1-2,11-12H2,(H,20,22)
InChIKeyRRJZFOSRCXGKJG-UHFFFAOYSA-N
MW379.87 g/mol
LogP2.20
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 6460117) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID6460117
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccncc1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O3S/c18-14-3-5-15(6-4-14)25(23,24)21-11-1-2-16(21)17(22)20-12-13-7-9-19-10-8-13/h3-10,16H,1-2,11-12H2,(H,20,22)
InChIKeyRRJZFOSRCXGKJG-UHFFFAOYSA-N
XLogP2.20
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (CID 6460117) is 1-(4-chlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1ccncc1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is RRJZFOSRCXGKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c18-14-3-5-15(6-4-14)25(23,24)21-11-1-2-16(21)17(22)20-12-13-7-9-19-10-8-13/h3-10,16H,1-2,11-12H2,(H,20,22).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 379.87 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 6460117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).