N-(2-aminoethyl)-2-methoxynaphthalene-1-sulfonamide

C13H16N2O3S — CID 164548549

IUPACN-(2-aminoethyl)-2-methoxynaphthalene-1-sulfonamide
SMILESCOc1ccc2ccccc2c1S(=O)(=O)NCCN
InChIInChI=1S/C13H16N2O3S/c1-18-12-7-6-10-4-2-3-5-11(10)13(12)19(16,17)15-9-8-14/h2-7,15H,8-9,14H2,1H3
InChIKeyDMWDULPOBYIRDH-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.09
Rot. Bonds5

About N-(2-aminoethyl)-2-methoxynaphthalene-1-sulfonamide

N-(2-aminoethyl)-2-methoxynaphthalene-1-sulfonamide (PubChem CID 164548549) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methoxynaphthalene-1-sulfonamide
PubChem CID164548549
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(2-aminoethyl)-2-methoxynaphthalene-1-sulfonamide
SMILESCOc1ccc2ccccc2c1S(=O)(=O)NCCN
InChIInChI=1S/C13H16N2O3S/c1-18-12-7-6-10-4-2-3-5-11(10)13(12)19(16,17)15-9-8-14/h2-7,15H,8-9,14H2,1H3
InChIKeyDMWDULPOBYIRDH-UHFFFAOYSA-N
XLogP1.09
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxynaphthalen-1-yl)sulfonylamino]pentanedioyl dichloride
CID 46204746
N-(3-aminopropyl)-2-methoxybenzenesulfonamide
CID 43605820
N-(2-aminoethyl)isoquinoline-4-sulfonamide
CID 69049985
N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide
CID 164548551
2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
CID 120707297
(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
1-(2-methoxynaphthalen-1-yl)-N,N-dimethylethane-1,2-diamine
CID 43380372
N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119960117
2-(2-aminoethoxy)naphthalene-1-sulfonic acid
CID 139785421
4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide
CID 741442
methyl 2-methylnaphthalene-1-sulfonate
CID 59911748
N'-[(2-methoxynaphthalen-1-yl)methyl]-N'-methylethane-1,2-diamine
CID 62682753

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-methoxynaphthalene-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-2-methoxynaphthalene-1-sulfonamide (CID 164548549) is N-(2-aminoethyl)-2-methoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2-methoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2-methoxynaphthalene-1-sulfonamide is COc1ccc2ccccc2c1S(=O)(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-methoxynaphthalene-1-sulfonamide?
The InChIKey is DMWDULPOBYIRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-18-12-7-6-10-4-2-3-5-11(10)13(12)19(16,17)15-9-8-14/h2-7,15H,8-9,14H2,1H3.
What are the key properties of N-(2-aminoethyl)-2-methoxynaphthalene-1-sulfonamide?
N-(2-aminoethyl)-2-methoxynaphthalene-1-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 164548549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).