N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide

C19H19NO3S — CID 90499632

IUPACN-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCC(O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H19NO3S/c21-19(16-7-2-1-3-8-16)12-13-20-24(22,23)18-11-10-15-6-4-5-9-17(15)14-18/h1-11,14,19-21H,12-13H2
InChIKeyRSOSRQQAJYRTER-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.24
Rot. Bonds6

About N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide

N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide (PubChem CID 90499632) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
PubChem CID90499632
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCC(O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H19NO3S/c21-19(16-7-2-1-3-8-16)12-13-20-24(22,23)18-11-10-15-6-4-5-9-17(15)14-18/h1-11,14,19-21H,12-13H2
InChIKeyRSOSRQQAJYRTER-UHFFFAOYSA-N
XLogP3.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide
CID 71782271
N-(2-bromoethyl)naphthalene-2-sulfonamide
CID 4737381
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide
CID 103836737
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
N-[(3R)-3-hydroxy-3-phenylpropyl]-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide
CID 99784775
N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide
CID 49459732
N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
CID 90499598
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium
CID 2459418

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide (CID 90499632) is N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide is O=S(=O)(NCCC(O)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide?
The InChIKey is RSOSRQQAJYRTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c21-19(16-7-2-1-3-8-16)12-13-20-24(22,23)18-11-10-15-6-4-5-9-17(15)14-18/h1-11,14,19-21H,12-13H2.
What are the key properties of N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide?
N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide has a molecular weight of 341.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 90499632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).