N-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide

C19H19NO3S — CID 100535072

IUPACN-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide
SMILESCCOc1cccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C19H19NO3S/c1-3-23-18-10-6-9-17(14-18)20(2)24(21,22)19-12-11-15-7-4-5-8-16(15)13-19/h4-14H,3H2,1-2H3
InChIKeyPQYOREPSWSVOLN-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.06
Rot. Bonds5

About N-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide

N-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide (PubChem CID 100535072) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide
PubChem CID100535072
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide
SMILESCCOc1cccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C19H19NO3S/c1-3-23-18-10-6-9-17(14-18)20(2)24(21,22)19-12-11-15-7-4-5-8-16(15)13-19/h4-14H,3H2,1-2H3
InChIKeyPQYOREPSWSVOLN-UHFFFAOYSA-N
XLogP4.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9056065
4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 99695461
ethyl 2-[3-[methyl(phenyl)sulfamoyl]phenoxy]acetate
CID 140968028
3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline
CID 70603517
2-ethoxynaphthalene
CID 118978197
naphthalen-2-yl 4-ethoxybenzenesulfonate
CID 5017326
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide
CID 55346376
3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
CID 100511071
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 95969458
N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99705183

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide?
The IUPAC name of N-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide (CID 100535072) is N-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide is CCOc1cccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide?
The InChIKey is PQYOREPSWSVOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-3-23-18-10-6-9-17(14-18)20(2)24(21,22)19-12-11-15-7-4-5-8-16(15)13-19/h4-14H,3H2,1-2H3.
What are the key properties of N-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide?
N-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide has a molecular weight of 341.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 100535072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).