5-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]naphthalene-1-sulfonamide

C21H24N2O3S — CID 12583850

IUPAC5-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)N[C@@H](CO)Cc3ccccc3)cccc12
InChIInChI=1S/C21H24N2O3S/c1-23(2)20-12-6-11-19-18(20)10-7-13-21(19)27(25,26)22-17(15-24)14-16-8-4-3-5-9-16/h3-13,17,22,24H,14-15H2,1-2H3/t17-/m1/s1
InChIKeyQPOMQHHVOSJXBH-QGZVFWFLSA-N
MW384.50 g/mol
LogP2.79
Rot. Bonds7

About 5-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]naphthalene-1-sulfonamide

5-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]naphthalene-1-sulfonamide (PubChem CID 12583850) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]naphthalene-1-sulfonamide
PubChem CID12583850
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name5-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)N[C@@H](CO)Cc3ccccc3)cccc12
InChIInChI=1S/C21H24N2O3S/c1-23(2)20-12-6-11-19-18(20)10-7-13-21(19)27(25,26)22-17(15-24)14-16-8-4-3-5-9-16/h3-13,17,22,24H,14-15H2,1-2H3/t17-/m1/s1
InChIKeyQPOMQHHVOSJXBH-QGZVFWFLSA-N
XLogP2.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]naphthalene-1-sulfonamide (CID 12583850) is 5-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CO)Cc3ccccc3)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]naphthalene-1-sulfonamide?
The InChIKey is QPOMQHHVOSJXBH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-23(2)20-12-6-11-19-18(20)10-7-13-21(19)27(25,26)22-17(15-24)14-16-8-4-3-5-9-16/h3-13,17,22,24H,14-15H2,1-2H3/t17-/m1/s1.
What are the key properties of 5-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]naphthalene-1-sulfonamide?
5-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]naphthalene-1-sulfonamide has a molecular weight of 384.50 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 12583850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).