N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide

C17H16N2O2S — CID 2459314

IUPACN-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccn1
InChIInChI=1S/C17H16N2O2S/c1-13(17-8-4-5-11-18-17)19-22(20,21)16-10-9-14-6-2-3-7-15(14)12-16/h2-13,19H,1H3/t13-/m0/s1
InChIKeyLCVYVRHUHGHACD-ZDUSSCGKSA-N
MW312.39 g/mol
LogP3.27
Rot. Bonds4

About N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide

N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide (PubChem CID 2459314) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
PubChem CID2459314
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccn1
InChIInChI=1S/C17H16N2O2S/c1-13(17-8-4-5-11-18-17)19-22(20,21)16-10-9-14-6-2-3-7-15(14)12-16/h2-13,19H,1H3/t13-/m0/s1
InChIKeyLCVYVRHUHGHACD-ZDUSSCGKSA-N
XLogP3.27
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46452389
3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 18086450
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
3-nitro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724474
N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 26943769
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide
CID 92520286
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-4-sulfonamide
CID 62146235
6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 114613153
6-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 43524541
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
4-cyclopentyloxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724466

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide (CID 2459314) is N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide is C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccn1.
What is the InChIKey of N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide?
The InChIKey is LCVYVRHUHGHACD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-13(17-8-4-5-11-18-17)19-22(20,21)16-10-9-14-6-2-3-7-15(14)12-16/h2-13,19H,1H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide?
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 2459314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).