N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide

C20H21NO3S — CID 3363192

IUPACN-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide
SMILESCC(C(O)c1ccccc1)N(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H21NO3S/c1-15(20(22)17-9-4-3-5-10-17)21(2)25(23,24)19-13-12-16-8-6-7-11-18(16)14-19/h3-15,20,22H,1-2H3
InChIKeyUGDOTBUQVPPZOK-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.58
Rot. Bonds5

About N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide (PubChem CID 3363192) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide
PubChem CID3363192
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide
SMILESCC(C(O)c1ccccc1)N(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H21NO3S/c1-15(20(22)17-9-4-3-5-10-17)21(2)25(23,24)19-13-12-16-8-6-7-11-18(16)14-19/h3-15,20,22H,1-2H3
InChIKeyUGDOTBUQVPPZOK-UHFFFAOYSA-N
XLogP3.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide?
The IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide (CID 3363192) is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide is CC(C(O)c1ccccc1)N(C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide?
The InChIKey is UGDOTBUQVPPZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-15(20(22)17-9-4-3-5-10-17)21(2)25(23,24)19-13-12-16-8-6-7-11-18(16)14-19/h3-15,20,22H,1-2H3.
What are the key properties of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide?
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 3363192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).