N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-1-sulfonamide

C16H19N3O2S — CID 713228

IUPACN-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cc2ccncc2)cc1)N1CCCC1
InChIInChI=1S/C16H19N3O2S/c20-22(21,19-11-1-2-12-19)18-16-5-3-14(4-6-16)13-15-7-9-17-10-8-15/h3-10,18H,1-2,11-13H2
InChIKeyIVBKLQZDNRHNRO-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.42
Rot. Bonds5

About N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-1-sulfonamide

N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-1-sulfonamide (PubChem CID 713228) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-1-sulfonamide
PubChem CID713228
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cc2ccncc2)cc1)N1CCCC1
InChIInChI=1S/C16H19N3O2S/c20-22(21,19-11-1-2-12-19)18-16-5-3-14(4-6-16)13-15-7-9-17-10-8-15/h3-10,18H,1-2,11-13H2
InChIKeyIVBKLQZDNRHNRO-UHFFFAOYSA-N
XLogP2.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Triprolidine
CID 5282443
Triprolidine Hydrochloride Anhydrous
CID 5702129
Lanicemine
CID 9794203
4-(4-Nitrobenzyl)pyridine
CID 14129
4-(4-(Dimethylamino)styryl)-1-methylpyridinium iodide
CID 5333955
Triprolidine hydrochloride monohydrate
CID 5284472
N,N-dimethyl-4-(pyridin-4-yl)aniline
CID 227783
4-(Pyridin-2-yl)aniline
CID 459518
4-(4-Dimethylaminostyryl)-1-methylpyridinium
CID 730769
3-(2-Pyridin-4-ylethyl)aniline
CID 5200230
2-Phenylpyridin-4-amine
CID 2762833
4-[(Pyridin-4-yl)methyl]aniline
CID 307158

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-1-sulfonamide (CID 713228) is N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-1-sulfonamide is O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)N1CCCC1.
What is the InChIKey of N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-1-sulfonamide?
The InChIKey is IVBKLQZDNRHNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-22(21,19-11-1-2-12-19)18-16-5-3-14(4-6-16)13-15-7-9-17-10-8-15/h3-10,18H,1-2,11-13H2.
What are the key properties of N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-1-sulfonamide?
N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-1-sulfonamide has a molecular weight of 317.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 713228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).