N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]naphthalene-1-sulfonamide

C19H19NO3S2 — CID 71803865

IUPACN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]naphthalene-1-sulfonamide
SMILESCSc1ccc(C(O)CNS(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H19NO3S2/c1-24-16-11-9-15(10-12-16)18(21)13-20-25(22,23)19-8-4-6-14-5-2-3-7-17(14)19/h2-12,18,20-21H,13H2,1H3
InChIKeyBRGWZOPPFIZVNQ-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.57
Rot. Bonds6

About N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]naphthalene-1-sulfonamide

N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]naphthalene-1-sulfonamide (PubChem CID 71803865) has the molecular formula C19H19NO3S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]naphthalene-1-sulfonamide
PubChem CID71803865
Molecular FormulaC19H19NO3S2
Molecular Weight373.50 g/mol
Exact Mass373.08
IUPAC NameN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]naphthalene-1-sulfonamide
SMILESCSc1ccc(C(O)CNS(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H19NO3S2/c1-24-16-11-9-15(10-12-16)18(21)13-20-25(22,23)19-8-4-6-14-5-2-3-7-17(14)19/h2-12,18,20-21H,13H2,1H3
InChIKeyBRGWZOPPFIZVNQ-UHFFFAOYSA-N
XLogP3.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]naphthalene-1-sulfonamide (CID 71803865) is N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]naphthalene-1-sulfonamide is CSc1ccc(C(O)CNS(=O)(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]naphthalene-1-sulfonamide?
The InChIKey is BRGWZOPPFIZVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S2/c1-24-16-11-9-15(10-12-16)18(21)13-20-25(22,23)19-8-4-6-14-5-2-3-7-17(14)19/h2-12,18,20-21H,13H2,1H3.
What are the key properties of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]naphthalene-1-sulfonamide?
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]naphthalene-1-sulfonamide has a molecular weight of 373.50 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 71803865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).