2-(naphthalen-1-ylamino)ethanesulfonamide

C12H14N2O2S — CID 114384703

IUPAC2-(naphthalen-1-ylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNc1cccc2ccccc12
InChIInChI=1S/C12H14N2O2S/c13-17(15,16)9-8-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,14H,8-9H2,(H2,13,15,16)
InChIKeyHHOWLJAQHUYGIN-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.54
Rot. Bonds4

About 2-(naphthalen-1-ylamino)ethanesulfonamide

2-(naphthalen-1-ylamino)ethanesulfonamide (PubChem CID 114384703) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(naphthalen-1-ylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(naphthalen-1-ylamino)ethanesulfonamide
PubChem CID114384703
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-(naphthalen-1-ylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNc1cccc2ccccc12
InChIInChI=1S/C12H14N2O2S/c13-17(15,16)9-8-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,14H,8-9H2,(H2,13,15,16)
InChIKeyHHOWLJAQHUYGIN-UHFFFAOYSA-N
XLogP1.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide
CID 83061174
2-(2-sulfamoylethylamino)benzoic acid
CID 62231211
2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide
CID 43552334
2-(3-fluoro-2-methylanilino)ethanesulfonamide
CID 114384957
2-(2-nitroanilino)ethanesulfonamide
CID 43552409
2-(2-propylanilino)ethanesulfonamide
CID 114384948
N'-naphthalen-1-ylethane-1,2-diamine;bis(nitric acid)
CID 158525985
N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide
CID 118724860
2-(3-bromo-2-cyanoanilino)ethanesulfonamide
CID 114880630
N-(2-sulfamoylethyl)naphthalene-1-carboxamide
CID 61067529
4-aminobenzenesulfonic acid;N'-naphthalen-1-ylethane-1,2-diamine;hydrochloride
CID 175085232

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylamino)ethanesulfonamide?
The IUPAC name of 2-(naphthalen-1-ylamino)ethanesulfonamide (CID 114384703) is 2-(naphthalen-1-ylamino)ethanesulfonamide.
What is the SMILES notation for 2-(naphthalen-1-ylamino)ethanesulfonamide?
The canonical SMILES for 2-(naphthalen-1-ylamino)ethanesulfonamide is NS(=O)(=O)CCNc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylamino)ethanesulfonamide?
The InChIKey is HHOWLJAQHUYGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c13-17(15,16)9-8-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,14H,8-9H2,(H2,13,15,16).
What are the key properties of 2-(naphthalen-1-ylamino)ethanesulfonamide?
2-(naphthalen-1-ylamino)ethanesulfonamide has a molecular weight of 250.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylamino)ethanesulfonamide is sourced from PubChem (CID 114384703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).