N-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide

C18H17NO3S — CID 10215206

IUPACN-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cccc2c(O)cccc12
InChIInChI=1S/C18H17NO3S/c1-19(13-14-7-3-2-4-8-14)23(21,22)18-12-6-9-15-16(18)10-5-11-17(15)20/h2-12,20H,13H2,1H3
InChIKeyYVZLWYYOKSHSEC-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.37
Rot. Bonds4

About N-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide

N-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide (PubChem CID 10215206) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide
PubChem CID10215206
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC NameN-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cccc2c(O)cccc12
InChIInChI=1S/C18H17NO3S/c1-19(13-14-7-3-2-4-8-14)23(21,22)18-12-6-9-15-16(18)10-5-11-17(15)20/h2-12,20H,13H2,1H3
InChIKeyYVZLWYYOKSHSEC-UHFFFAOYSA-N
XLogP3.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide
CID 175262057
2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride
CID 69275017
N-benzyl-N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 1358127
N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide
CID 115902788
2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81241113
1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide
CID 54492944
N-methyl-N-(1H-pyrazol-4-ylmethyl)naphthalene-1-sulfonamide
CID 114795551
N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide
CID 108509276
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
4-hydroxynaphthalene-1-sulfonic acid;phenylmethanamine
CID 173118162
N,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide
CID 2899093
(2S)-2-[benzyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-methylbutanoic acid
CID 10836847

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide?
The IUPAC name of N-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide (CID 10215206) is N-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide?
The canonical SMILES for N-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1cccc2c(O)cccc12.
What is the InChIKey of N-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide?
The InChIKey is YVZLWYYOKSHSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-19(13-14-7-3-2-4-8-14)23(21,22)18-12-6-9-15-16(18)10-5-11-17(15)20/h2-12,20H,13H2,1H3.
What are the key properties of N-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide?
N-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide is sourced from PubChem (CID 10215206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).