N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide

C24H28N2O3S — CID 3293139

IUPACN-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide
SMILESO=S(=O)(c1ccc2ccccc2c1)N(CC(O)CN1CCCCC1)c1ccccc1
InChIInChI=1S/C24H28N2O3S/c27-23(18-25-15-7-2-8-16-25)19-26(22-11-3-1-4-12-22)30(28,29)24-14-13-20-9-5-6-10-21(20)17-24/h1,3-6,9-14,17,23,27H,2,7-8,15-16,18-19H2
InChIKeyGQWFTSVUOGLZKM-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.88
Rot. Bonds7

About N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide

N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide (PubChem CID 3293139) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide
PubChem CID3293139
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC NameN-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide
SMILESO=S(=O)(c1ccc2ccccc2c1)N(CC(O)CN1CCCCC1)c1ccccc1
InChIInChI=1S/C24H28N2O3S/c27-23(18-25-15-7-2-8-16-25)19-26(22-11-3-1-4-12-22)30(28,29)24-14-13-20-9-5-6-10-21(20)17-24/h1,3-6,9-14,17,23,27H,2,7-8,15-16,18-19H2
InChIKeyGQWFTSVUOGLZKM-UHFFFAOYSA-N
XLogP3.88
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-nitrophenyl)benzenesulfonamide;hydrochloride
CID 52998314
N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylmethanesulfonamide
CID 90941820
N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide
CID 2915137
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylbenzenesulfonamide
CID 3133092
N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methyl-N-phenylbenzenesulfonamide
CID 1077012
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methyl-N-phenylbenzenesulfonamide
CID 3151264
N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 1077010
N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide
CID 38869062
N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 1125517
1-[(2S)-3-naphthalen-2-ylsulfonyl-2-piperidin-1-ylpropyl]piperidine
CID 2211387
N-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 71945543
N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1077008

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide?
The IUPAC name of N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide (CID 3293139) is N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide is O=S(=O)(c1ccc2ccccc2c1)N(CC(O)CN1CCCCC1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide?
The InChIKey is GQWFTSVUOGLZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c27-23(18-25-15-7-2-8-16-25)19-26(22-11-3-1-4-12-22)30(28,29)24-14-13-20-9-5-6-10-21(20)17-24/h1,3-6,9-14,17,23,27H,2,7-8,15-16,18-19H2.
What are the key properties of N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide?
N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide has a molecular weight of 424.57 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide is sourced from PubChem (CID 3293139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).