4-(2-aminoethoxy)-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline

C19H19N3O3S — CID 143411833

IUPAC4-(2-aminoethoxy)-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline
SMILES[H]/N=C(\c1cc(OCCN)ccc1N)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C19H19N3O3S/c20-10-11-25-14-8-9-17(21)16(12-14)19(22)26(23,24)18-7-3-5-13-4-1-2-6-15(13)18/h1-9,12,22H,10-11,20-21H2/b22-19+
InChIKeyOGHJWZLSMAXMON-ZBJSNUHESA-N
MW369.45 g/mol
LogP2.56
Rot. Bonds5

About 4-(2-aminoethoxy)-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline

4-(2-aminoethoxy)-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline (PubChem CID 143411833) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethoxy)-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline
PubChem CID143411833
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name4-(2-aminoethoxy)-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline
SMILES[H]/N=C(\c1cc(OCCN)ccc1N)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C19H19N3O3S/c20-10-11-25-14-8-9-17(21)16(12-14)19(22)26(23,24)18-7-3-5-13-4-1-2-6-15(13)18/h1-9,12,22H,10-11,20-21H2/b22-19+
InChIKeyOGHJWZLSMAXMON-ZBJSNUHESA-N
XLogP2.56
TPSA119.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline
CID 143411869
2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-(3-pyrrolidin-1-ylpropoxy)aniline
CID 89378484
2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-nitroaniline
CID 143426593
4-(1-butylpiperidin-4-yl)oxy-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline
CID 89374669
2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-diamine
CID 143426554
2-[4-(benzylamino)-3-(C-naphthalen-1-ylsulfonylcarbonimidoyl)phenoxy]ethyl 4-methylbenzenesulfonate
CID 89378366
2-[C-(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)carbonimidoyl]-4-(1-methylpiperidin-3-yl)oxyaniline
CID 143426556
4-[2-(diethylamino)ethoxy]-N-methyl-2-[C-(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)carbonimidoyl]aniline
CID 143411810
2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine
CID 58812067
5-(C-naphthalen-1-ylsulfonylcarbonimidoyl)cyclohexa-1,5-diene-1,4-diamine
CID 147140080
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline?
The IUPAC name of 4-(2-aminoethoxy)-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline (CID 143411833) is 4-(2-aminoethoxy)-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline.
What is the SMILES notation for 4-(2-aminoethoxy)-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline?
The canonical SMILES for 4-(2-aminoethoxy)-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline is [H]/N=C(\c1cc(OCCN)ccc1N)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 4-(2-aminoethoxy)-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline?
The InChIKey is OGHJWZLSMAXMON-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H19N3O3S/c20-10-11-25-14-8-9-17(21)16(12-14)19(22)26(23,24)18-7-3-5-13-4-1-2-6-15(13)18/h1-9,12,22H,10-11,20-21H2/b22-19+.
What are the key properties of 4-(2-aminoethoxy)-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline?
4-(2-aminoethoxy)-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline has a molecular weight of 369.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline is sourced from PubChem (CID 143411833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).