N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide

C19H19NO3S — CID 3805772

IUPACN-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
SMILESCOc1cccc(C(C)NS(=O)(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C19H19NO3S/c1-14(16-9-5-10-17(13-16)23-2)20-24(21,22)19-12-6-8-15-7-3-4-11-18(15)19/h3-14,20H,1-2H3
InChIKeyWESKMXMHUGBUBY-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.89
Rot. Bonds5

About N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide

N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide (PubChem CID 3805772) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
PubChem CID3805772
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
SMILESCOc1cccc(C(C)NS(=O)(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C19H19NO3S/c1-14(16-9-5-10-17(13-16)23-2)20-24(21,22)19-12-6-8-15-7-3-4-11-18(15)19/h3-14,20H,1-2H3
InChIKeyWESKMXMHUGBUBY-UHFFFAOYSA-N
XLogP3.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 45368198
N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
CID 3716853
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide
CID 25039412
N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide
CID 3415984
1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
CID 1274088
1-bromo-N-[1-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 83086763
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide
CID 6464788
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 61126470
N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 22201304
5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 74227480

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide (CID 3805772) is N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide is COc1cccc(C(C)NS(=O)(=O)c2cccc3ccccc23)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide?
The InChIKey is WESKMXMHUGBUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-14(16-9-5-10-17(13-16)23-2)20-24(21,22)19-12-6-8-15-7-3-4-11-18(15)19/h3-14,20H,1-2H3.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide?
N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide has a molecular weight of 341.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 3805772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).