N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide

C19H19NO4S — CID 3801586

IUPACN-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cccc3ccccc23)cc1OC
InChIInChI=1S/C19H19NO4S/c1-23-17-11-10-14(12-18(17)24-2)13-20-25(21,22)19-9-5-7-15-6-3-4-8-16(15)19/h3-12,20H,13H2,1-2H3
InChIKeyFRASXZAXQBYTQG-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.34
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide

N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide (PubChem CID 3801586) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide
PubChem CID3801586
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cccc3ccccc23)cc1OC
InChIInChI=1S/C19H19NO4S/c1-23-17-11-10-14(12-18(17)24-2)13-20-25(21,22)19-9-5-7-15-6-3-4-8-16(15)19/h3-12,20H,13H2,1-2H3
InChIKeyFRASXZAXQBYTQG-UHFFFAOYSA-N
XLogP3.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzylnaphthalene-1-sulfonamide
CID 3844256
N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide
CID 134034376
N-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22203272
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 94633814
N-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide
CID 3709466
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
N-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide
CID 3854839
N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 7938177
4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid
CID 67120728
3-chloro-2-hydroxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzenesulfonamide
CID 167951708
N-[(3,4-dimethoxyphenyl)methyl]-2-(naphthalen-1-ylmethylsulfonyl)acetamide
CID 94048113
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide (CID 3801586) is N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide is COc1ccc(CNS(=O)(=O)c2cccc3ccccc23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide?
The InChIKey is FRASXZAXQBYTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-23-17-11-10-14(12-18(17)24-2)13-20-25(21,22)19-9-5-7-15-6-3-4-8-16(15)19/h3-12,20H,13H2,1-2H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide has a molecular weight of 357.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 3801586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).