2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide

C12H18N2O3S — CID 61125684

IUPAC2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NCCC1CCCO1
InChIInChI=1S/C12H18N2O3S/c13-11-5-1-2-6-12(11)18(15,16)14-8-7-10-4-3-9-17-10/h1-2,5-6,10,14H,3-4,7-9,13H2
InChIKeyNHDVAODXAAZBTL-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.12
Rot. Bonds5

About 2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide

2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide (PubChem CID 61125684) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
PubChem CID61125684
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NCCC1CCCO1
InChIInChI=1S/C12H18N2O3S/c13-11-5-1-2-6-12(11)18(15,16)14-8-7-10-4-3-9-17-10/h1-2,5-6,10,14H,3-4,7-9,13H2
InChIKeyNHDVAODXAAZBTL-UHFFFAOYSA-N
XLogP1.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 51076370
2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014409
4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61127442
2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 63743835
5-amino-2-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61125686
4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride
CID 114958224
2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61127039
3-amino-4-nitro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 82846881
4-amino-N-[2-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide
CID 61300388
ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate
CID 94814688
2-amino-N-methyl-4-[2-(oxolan-2-yl)ethylamino]benzenesulfonamide
CID 80646014
3-amino-4-fluoro-2,6-dimethyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 107325726

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide (CID 61125684) is 2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide is Nc1ccccc1S(=O)(=O)NCCC1CCCO1.
What is the InChIKey of 2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is NHDVAODXAAZBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c13-11-5-1-2-6-12(11)18(15,16)14-8-7-10-4-3-9-17-10/h1-2,5-6,10,14H,3-4,7-9,13H2.
What are the key properties of 2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61125684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).