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

C13H20N2O3S — CID 61127442

IUPAC4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCCC1CCCO1
InChIInChI=1S/C13H20N2O3S/c1-10-9-11(14)4-5-13(10)19(16,17)15-7-6-12-3-2-8-18-12/h4-5,9,12,15H,2-3,6-8,14H2,1H3
InChIKeyUNGHTAUSAPWUOO-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.42
Rot. Bonds5

About 4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide

4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide (PubChem CID 61127442) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
PubChem CID61127442
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCCC1CCCO1
InChIInChI=1S/C13H20N2O3S/c1-10-9-11(14)4-5-13(10)19(16,17)15-7-6-12-3-2-8-18-12/h4-5,9,12,15H,2-3,6-8,14H2,1H3
InChIKeyUNGHTAUSAPWUOO-UHFFFAOYSA-N
XLogP1.42
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.42
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

4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014134
4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990968
3-methyl-4-[3-(oxolan-2-yl)propylsulfonyl]aniline
CID 81192653
3-amino-4-fluoro-2,6-dimethyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 107325726
2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61125684
2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990940
N-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide
CID 51076373
2-methyl-5-nitro-N-[2-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide
CID 31811302
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-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 51076370
2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 63743835

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide (CID 61127442) is 4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)NCCC1CCCO1.
What is the InChIKey of 4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is UNGHTAUSAPWUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-9-11(14)4-5-13(10)19(16,17)15-7-6-12-3-2-8-18-12/h4-5,9,12,15H,2-3,6-8,14H2,1H3.
What are the key properties of 4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61127442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).