1-(4-chlorophenyl)sulfonyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide

C17H18ClN3O3S — CID 6459554

IUPAC1-(4-chlorophenyl)sulfonyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O3S/c1-12-4-2-10-19-16(12)20-17(22)15-5-3-11-21(15)25(23,24)14-8-6-13(18)7-9-14/h2,4,6-10,15H,3,5,11H2,1H3,(H,19,20,22)
InChIKeyXYSMDPYWIRTFEY-UHFFFAOYSA-N
MW379.87 g/mol
LogP2.84
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 6459554) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID6459554
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O3S/c1-12-4-2-10-19-16(12)20-17(22)15-5-3-11-21(15)25(23,24)14-8-6-13(18)7-9-14/h2,4,6-10,15H,3,5,11H2,1H3,(H,19,20,22)
InChIKeyXYSMDPYWIRTFEY-UHFFFAOYSA-N
XLogP2.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.84
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-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide (CID 6459554) is 1-(4-chlorophenyl)sulfonyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide is Cc1cccnc1NC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is XYSMDPYWIRTFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-12-4-2-10-19-16(12)20-17(22)15-5-3-11-21(15)25(23,24)14-8-6-13(18)7-9-14/h2,4,6-10,15H,3,5,11H2,1H3,(H,19,20,22).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 379.87 g/mol, XLogP of 2.84, 4 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-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 6459554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).