6-chloro-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyridine-3-sulfonamide

C17H15ClF3N3O4S — CID 146101509

IUPAC6-chloro-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyridine-3-sulfonamide
SMILESCc1nc(Cl)ccc1S(=O)(=O)NC1CCN(c2cccc(OC(F)(F)F)c2)C1=O
InChIInChI=1S/C17H15ClF3N3O4S/c1-10-14(5-6-15(18)22-10)29(26,27)23-13-7-8-24(16(13)25)11-3-2-4-12(9-11)28-17(19,20)21/h2-6,9,13,23H,7-8H2,1H3
InChIKeyPZNXGRLBODDLPH-UHFFFAOYSA-N
MW449.84 g/mol
LogP3.03
Rot. Bonds5

About 6-chloro-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyridine-3-sulfonamide

6-chloro-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyridine-3-sulfonamide (PubChem CID 146101509) has the molecular formula C17H15ClF3N3O4S and a molecular weight of 449.84 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyridine-3-sulfonamide
PubChem CID146101509
Molecular FormulaC17H15ClF3N3O4S
Molecular Weight449.84 g/mol
Exact Mass449.04
IUPAC Name6-chloro-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyridine-3-sulfonamide
SMILESCc1nc(Cl)ccc1S(=O)(=O)NC1CCN(c2cccc(OC(F)(F)F)c2)C1=O
InChIInChI=1S/C17H15ClF3N3O4S/c1-10-14(5-6-15(18)22-10)29(26,27)23-13-7-8-24(16(13)25)11-3-2-4-12(9-11)28-17(19,20)21/h2-6,9,13,23H,7-8H2,1H3
InChIKeyPZNXGRLBODDLPH-UHFFFAOYSA-N
XLogP3.03
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.84
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 95627572
3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 19710959
methyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate
CID 139000528
5-amino-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride
CID 120633308
2-chloro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95255094
6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 102557214
2-(2-methoxyethylamino)-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide
CID 119787510
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea
CID 146088616
3-(1H-pyrrol-3-ylmethylamino)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 71972841
2-amino-3-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pentanamide
CID 119787502
1-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)urea
CID 167874097
sodium 6-oxo-6-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]hexanoate
CID 139001995

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyridine-3-sulfonamide (CID 146101509) is 6-chloro-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyridine-3-sulfonamide is Cc1nc(Cl)ccc1S(=O)(=O)NC1CCN(c2cccc(OC(F)(F)F)c2)C1=O.
What is the InChIKey of 6-chloro-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyridine-3-sulfonamide?
The InChIKey is PZNXGRLBODDLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O4S/c1-10-14(5-6-15(18)22-10)29(26,27)23-13-7-8-24(16(13)25)11-3-2-4-12(9-11)28-17(19,20)21/h2-6,9,13,23H,7-8H2,1H3.
What are the key properties of 6-chloro-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyridine-3-sulfonamide?
6-chloro-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyridine-3-sulfonamide has a molecular weight of 449.84 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 146101509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).