N-[3-(1,3-dioxan-2-yl)phenyl]-4-methoxynaphthalene-1-sulfonamide

C21H21NO5S — CID 4691817

IUPACN-[3-(1,3-dioxan-2-yl)phenyl]-4-methoxynaphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C3OCCCO3)c2)c2ccccc12
InChIInChI=1S/C21H21NO5S/c1-25-19-10-11-20(18-9-3-2-8-17(18)19)28(23,24)22-16-7-4-6-15(14-16)21-26-12-5-13-27-21/h2-4,6-11,14,21-22H,5,12-13H2,1H3
InChIKeyJYRIZFHPFNBZBP-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.08
Rot. Bonds5

About N-[3-(1,3-dioxan-2-yl)phenyl]-4-methoxynaphthalene-1-sulfonamide

N-[3-(1,3-dioxan-2-yl)phenyl]-4-methoxynaphthalene-1-sulfonamide (PubChem CID 4691817) has the molecular formula C21H21NO5S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[3-(1,3-dioxan-2-yl)phenyl]-4-methoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxan-2-yl)phenyl]-4-methoxynaphthalene-1-sulfonamide
PubChem CID4691817
Molecular FormulaC21H21NO5S
Molecular Weight399.47 g/mol
Exact Mass399.11
IUPAC NameN-[3-(1,3-dioxan-2-yl)phenyl]-4-methoxynaphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C3OCCCO3)c2)c2ccccc12
InChIInChI=1S/C21H21NO5S/c1-25-19-10-11-20(18-9-3-2-8-17(18)19)28(23,24)22-16-7-4-6-15(14-16)21-26-12-5-13-27-21/h2-4,6-11,14,21-22H,5,12-13H2,1H3
InChIKeyJYRIZFHPFNBZBP-UHFFFAOYSA-N
XLogP4.08
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-methoxynaphthalene-1-sulfonamide
CID 51702411
4-methoxy-N-(2-methoxydibenzofuran-3-yl)naphthalene-1-sulfonamide
CID 2921082
N-cyclopentyl-4-methoxynaphthalene-1-sulfonamide
CID 7314514
2-[3-(sulfamoylamino)phenyl]-1,3-dioxolane
CID 106913594
N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 95969889
2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane
CID 10555113
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
N-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide
CID 56573661
4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]naphthalene-1-sulfonamide
CID 55691636
4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 1274107
N-[3-[(4aR,6S,10bS)-7,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-6-yl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 124768547
N-[3-[(4aR,6R,10bR)-7,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-6-yl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 100808931

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxan-2-yl)phenyl]-4-methoxynaphthalene-1-sulfonamide?
The IUPAC name of N-[3-(1,3-dioxan-2-yl)phenyl]-4-methoxynaphthalene-1-sulfonamide (CID 4691817) is N-[3-(1,3-dioxan-2-yl)phenyl]-4-methoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-[3-(1,3-dioxan-2-yl)phenyl]-4-methoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-[3-(1,3-dioxan-2-yl)phenyl]-4-methoxynaphthalene-1-sulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(C3OCCCO3)c2)c2ccccc12.
What is the InChIKey of N-[3-(1,3-dioxan-2-yl)phenyl]-4-methoxynaphthalene-1-sulfonamide?
The InChIKey is JYRIZFHPFNBZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5S/c1-25-19-10-11-20(18-9-3-2-8-17(18)19)28(23,24)22-16-7-4-6-15(14-16)21-26-12-5-13-27-21/h2-4,6-11,14,21-22H,5,12-13H2,1H3.
What are the key properties of N-[3-(1,3-dioxan-2-yl)phenyl]-4-methoxynaphthalene-1-sulfonamide?
N-[3-(1,3-dioxan-2-yl)phenyl]-4-methoxynaphthalene-1-sulfonamide has a molecular weight of 399.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxan-2-yl)phenyl]-4-methoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 4691817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).