N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylnaphthalene-2-sulfonamide;hydrochloride

C23H27ClN2O4S — CID 6603009

IUPACN-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylnaphthalene-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(c1ccc2ccccc2c1)N(CC(O)CN1CCOCC1)c1ccccc1
InChIInChI=1S/C23H26N2O4S.ClH/c26-22(17-24-12-14-29-15-13-24)18-25(21-8-2-1-3-9-21)30(27,28)23-11-10-19-6-4-5-7-20(19)16-23;/h1-11,16,22,26H,12-15,17-18H2;1H
InChIKeyGCWJKKXBQBPGHT-UHFFFAOYSA-N
MW463.00 g/mol
LogP3.15
Rot. Bonds7

About N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylnaphthalene-2-sulfonamide;hydrochloride

N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylnaphthalene-2-sulfonamide;hydrochloride (PubChem CID 6603009) has the molecular formula C23H27ClN2O4S and a molecular weight of 463.00 g/mol. Its IUPAC name is N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylnaphthalene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylnaphthalene-2-sulfonamide;hydrochloride
PubChem CID6603009
Molecular FormulaC23H27ClN2O4S
Molecular Weight463.00 g/mol
Exact Mass462.14
IUPAC NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylnaphthalene-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(c1ccc2ccccc2c1)N(CC(O)CN1CCOCC1)c1ccccc1
InChIInChI=1S/C23H26N2O4S.ClH/c26-22(17-24-12-14-29-15-13-24)18-25(21-8-2-1-3-9-21)30(27,28)23-11-10-19-6-4-5-7-20(19)16-23;/h1-11,16,22,26H,12-15,17-18H2;1H
InChIKeyGCWJKKXBQBPGHT-UHFFFAOYSA-N
XLogP3.15
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.00
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Morpholine, 4-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-
CID 658467
N-[4-(4-morpholinyl)phenyl]-2-naphthalenesulfonamide
CID 1921979
N-(2-Hydroxy-3-piperidin-1-yl-propyl)-4-methyl-N-p-tolyl-benzenesulfonamide
CID 2883960
N-[2-hydroxy-3-(morpholin-4-yl)propyl]-N-(4-methylphenyl)naphthalene-2-sulfonamide
CID 2884920
N-(oxiran-2-ylmethyl)-N-phenylnaphthalene-2-sulfonamide
CID 3133058
N-(2-Hydroxy-3-piperidin-1-yl-propyl)-4-methyl-N-phenyl-benzenesulfonamide
CID 6603630
3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 7938968
N-(2-(4-(dimethylamino)phenyl)-2-morpholinoethyl)naphthalene-2-sulfonamide
CID 16812485
N-(3-(diethylamino)-2-hydroxypropyl)-N-phenylnaphthalene-2-sulfonamide hydrochloride
CID 24747855
N-[2-hydroxy-3-(piperidin-1-yl)propyl]-4-methyl-N-phenylbenzenesulfonamide
CID 2884285
N-[3-(dibenzylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
CID 2884366
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-(3-methylphenyl)benzenesulfonamide
CID 3592886

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylnaphthalene-2-sulfonamide;hydrochloride?
The IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylnaphthalene-2-sulfonamide;hydrochloride (CID 6603009) is N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylnaphthalene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylnaphthalene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylnaphthalene-2-sulfonamide;hydrochloride is Cl.O=S(=O)(c1ccc2ccccc2c1)N(CC(O)CN1CCOCC1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylnaphthalene-2-sulfonamide;hydrochloride?
The InChIKey is GCWJKKXBQBPGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S.ClH/c26-22(17-24-12-14-29-15-13-24)18-25(21-8-2-1-3-9-21)30(27,28)23-11-10-19-6-4-5-7-20(19)16-23;/h1-11,16,22,26H,12-15,17-18H2;1H.
What are the key properties of N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylnaphthalene-2-sulfonamide;hydrochloride?
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylnaphthalene-2-sulfonamide;hydrochloride has a molecular weight of 463.00 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylnaphthalene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 6603009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).