N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide

C19H19N3O2S — CID 90621515

IUPACN-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(c2ccccn2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C19H19N3O2S/c23-25(24,18-9-8-15-5-1-2-6-16(15)13-18)21-17-10-12-22(14-17)19-7-3-4-11-20-19/h1-9,11,13,17,21H,10,12,14H2
InChIKeyPCMRCVPYCCGTAM-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.79
Rot. Bonds4

About N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide

N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide (PubChem CID 90621515) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide
PubChem CID90621515
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(c2ccccn2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C19H19N3O2S/c23-25(24,18-9-8-15-5-1-2-6-16(15)13-18)21-17-10-12-22(14-17)19-7-3-4-11-20-19/h1-9,11,13,17,21H,10,12,14H2
InChIKeyPCMRCVPYCCGTAM-UHFFFAOYSA-N
XLogP2.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide?
The IUPAC name of N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide (CID 90621515) is N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide is O=S(=O)(NC1CCN(c2ccccn2)C1)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide?
The InChIKey is PCMRCVPYCCGTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-25(24,18-9-8-15-5-1-2-6-16(15)13-18)21-17-10-12-22(14-17)19-7-3-4-11-20-19/h1-9,11,13,17,21H,10,12,14H2.
What are the key properties of N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide?
N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide has a molecular weight of 353.45 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 90621515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).