N-[3-(4-chlorophenoxy)phenyl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C25H26ClN3O4S — CID 139458799

IUPACN-[3-(4-chlorophenoxy)phenyl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Oc3ccc(Cl)cc3)c2)C(C)(C)C1
InChIInChI=1S/C25H26ClN3O4S/c1-17-15-25(2,3)29(16-17)23-22(8-5-13-27-23)24(30)28-34(31,32)21-7-4-6-20(14-21)33-19-11-9-18(26)10-12-19/h4-14,17H,15-16H2,1-3H3,(H,28,30)
InChIKeyIDRPBSXODKRGOA-UHFFFAOYSA-N
MW500.02 g/mol
LogP5.27
Rot. Bonds6

About N-[3-(4-chlorophenoxy)phenyl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[3-(4-chlorophenoxy)phenyl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 139458799) has the molecular formula C25H26ClN3O4S and a molecular weight of 500.02 g/mol. Its IUPAC name is N-[3-(4-chlorophenoxy)phenyl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenoxy)phenyl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID139458799
Molecular FormulaC25H26ClN3O4S
Molecular Weight500.02 g/mol
Exact Mass499.13
IUPAC NameN-[3-(4-chlorophenoxy)phenyl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Oc3ccc(Cl)cc3)c2)C(C)(C)C1
InChIInChI=1S/C25H26ClN3O4S/c1-17-15-25(2,3)29(16-17)23-22(8-5-13-27-23)24(30)28-34(31,32)21-7-4-6-20(14-21)33-19-11-9-18(26)10-12-19/h4-14,17H,15-16H2,1-3H3,(H,28,30)
InChIKeyIDRPBSXODKRGOA-UHFFFAOYSA-N
XLogP5.27
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.02
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251383
N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252018
N-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121253072
N-[[6-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251308
N-[(6-ethoxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251904
N-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252235
6-chloro-5-fluoro-N-pyridin-3-ylsulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 135194127
N-[[6-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252682
N-[(6-anilino-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252043
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250599
N-[[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121253360
N-[[6-(cyclooctylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250677

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenoxy)phenyl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-chlorophenoxy)phenyl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 139458799) is N-[3-(4-chlorophenoxy)phenyl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenoxy)phenyl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenoxy)phenyl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Oc3ccc(Cl)cc3)c2)C(C)(C)C1.
What is the InChIKey of N-[3-(4-chlorophenoxy)phenyl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is IDRPBSXODKRGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4S/c1-17-15-25(2,3)29(16-17)23-22(8-5-13-27-23)24(30)28-34(31,32)21-7-4-6-20(14-21)33-19-11-9-18(26)10-12-19/h4-14,17H,15-16H2,1-3H3,(H,28,30).
What are the key properties of N-[3-(4-chlorophenoxy)phenyl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[3-(4-chlorophenoxy)phenyl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 500.02 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenoxy)phenyl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 139458799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).