3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide

C24H24F2N4O3S — CID 26215762

IUPAC3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccccn1)c1cc(NCc2c(F)cccc2F)cc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C24H24F2N4O3S/c25-22-7-5-8-23(26)21(22)16-28-19-12-17(24(31)29-15-18-6-1-2-9-27-18)13-20(14-19)34(32,33)30-10-3-4-11-30/h1-2,5-9,12-14,28H,3-4,10-11,15-16H2,(H,29,31)
InChIKeyVPTFBTWRMZRRNU-UHFFFAOYSA-N
MW486.54 g/mol
LogP3.69
Rot. Bonds8

About 3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide

3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 26215762) has the molecular formula C24H24F2N4O3S and a molecular weight of 486.54 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID26215762
Molecular FormulaC24H24F2N4O3S
Molecular Weight486.54 g/mol
Exact Mass486.15
IUPAC Name3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccccn1)c1cc(NCc2c(F)cccc2F)cc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C24H24F2N4O3S/c25-22-7-5-8-23(26)21(22)16-28-19-12-17(24(31)29-15-18-6-1-2-9-27-18)13-20(14-19)34(32,33)30-10-3-4-11-30/h1-2,5-9,12-14,28H,3-4,10-11,15-16H2,(H,29,31)
InChIKeyVPTFBTWRMZRRNU-UHFFFAOYSA-N
XLogP3.69
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide
CID 26224528
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8880625
3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55783525
3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 109064311
3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 71913514
1-(3,4-difluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 35747322
4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880641
2-fluoro-5-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 5143733
1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004473
N-(2-imidazol-1-ylethyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26221046
1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2969235
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 55341761

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 26215762) is 3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCc1ccccn1)c1cc(NCc2c(F)cccc2F)cc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is VPTFBTWRMZRRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O3S/c25-22-7-5-8-23(26)21(22)16-28-19-12-17(24(31)29-15-18-6-1-2-9-27-18)13-20(14-19)34(32,33)30-10-3-4-11-30/h1-2,5-9,12-14,28H,3-4,10-11,15-16H2,(H,29,31).
What are the key properties of 3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 486.54 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26215762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).