4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide

C13H20N2O3S — CID 55014134

IUPAC4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCC1CCCCO1
InChIInChI=1S/C13H20N2O3S/c1-10-8-11(14)5-6-13(10)19(16,17)15-9-12-4-2-3-7-18-12/h5-6,8,12,15H,2-4,7,9,14H2,1H3
InChIKeyJBMCDNXLJPQNEC-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.42
Rot. Bonds4

About 4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide

4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide (PubChem CID 55014134) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
PubChem CID55014134
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCC1CCCCO1
InChIInChI=1S/C13H20N2O3S/c1-10-8-11(14)5-6-13(10)19(16,17)15-9-12-4-2-3-7-18-12/h5-6,8,12,15H,2-4,7,9,14H2,1H3
InChIKeyJBMCDNXLJPQNEC-UHFFFAOYSA-N
XLogP1.42
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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'}

Analyze 4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61127442
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522
5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide
CID 64852852
2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014409
4-bromo-2-chloro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406363
2,3,4,5-tetramethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 51681797
3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide
CID 55014323
2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 54888363
3-methyl-4-[3-(oxolan-2-yl)propylsulfonyl]aniline
CID 81192653
4-methoxy-2,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 95969874
3-amino-4-chloro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014501
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 106358885

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide (CID 55014134) is 4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)NCC1CCCCO1.
What is the InChIKey of 4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide?
The InChIKey is JBMCDNXLJPQNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-8-11(14)5-6-13(10)19(16,17)15-9-12-4-2-3-7-18-12/h5-6,8,12,15H,2-4,7,9,14H2,1H3.
What are the key properties of 4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide?
4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.42, 4 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-(oxan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 55014134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).