3-chloro-2-(oxazinan-2-ylsulfonyl)aniline

C10H13ClN2O3S — CID 113375337

IUPAC3-chloro-2-(oxazinan-2-ylsulfonyl)aniline
SMILESNc1cccc(Cl)c1S(=O)(=O)N1CCCCO1
InChIInChI=1S/C10H13ClN2O3S/c11-8-4-3-5-9(12)10(8)17(14,15)13-6-1-2-7-16-13/h3-5H,1-2,6-7,12H2
InChIKeyOKVTZPVQXCOFGE-UHFFFAOYSA-N
MW276.74 g/mol
LogP1.64
Rot. Bonds2

About 3-chloro-2-(oxazinan-2-ylsulfonyl)aniline

3-chloro-2-(oxazinan-2-ylsulfonyl)aniline (PubChem CID 113375337) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.74 g/mol. Its IUPAC name is 3-chloro-2-(oxazinan-2-ylsulfonyl)aniline.

Molecular Properties

Compound Name3-chloro-2-(oxazinan-2-ylsulfonyl)aniline
PubChem CID113375337
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.74 g/mol
Exact Mass276.03
IUPAC Name3-chloro-2-(oxazinan-2-ylsulfonyl)aniline
SMILESNc1cccc(Cl)c1S(=O)(=O)N1CCCCO1
InChIInChI=1S/C10H13ClN2O3S/c11-8-4-3-5-9(12)10(8)17(14,15)13-6-1-2-7-16-13/h3-5H,1-2,6-7,12H2
InChIKeyOKVTZPVQXCOFGE-UHFFFAOYSA-N
XLogP1.64
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-2-(oxazinan-2-ylsulfonyl)aniline 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

2-methyl-3-(oxazinan-2-ylsulfonyl)aniline
CID 113375345
3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline
CID 113375332
2-naphthalen-1-ylsulfonyloxazinane
CID 114795467
3-chloro-2-(2,4-dimethylpiperidin-1-yl)sulfonylaniline
CID 55061755
4-(2-amino-6-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one
CID 63600961
2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone
CID 81185661
2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one
CID 81185324
3-chloro-2-(cyclopentylmethylsulfonyl)aniline
CID 81185150
1-[2-(2-amino-6-chlorophenyl)sulfonylethyl]imidazolidin-2-one
CID 81182694
N-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide
CID 62084795
2-(2-bicyclo[2.2.1]heptanylsulfonyl)-3-chloroaniline
CID 114247039
(4aR,8aR)-4-(2,6-dichlorophenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 100890241

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(oxazinan-2-ylsulfonyl)aniline?
The IUPAC name of 3-chloro-2-(oxazinan-2-ylsulfonyl)aniline (CID 113375337) is 3-chloro-2-(oxazinan-2-ylsulfonyl)aniline.
What is the SMILES notation for 3-chloro-2-(oxazinan-2-ylsulfonyl)aniline?
The canonical SMILES for 3-chloro-2-(oxazinan-2-ylsulfonyl)aniline is Nc1cccc(Cl)c1S(=O)(=O)N1CCCCO1.
What is the InChIKey of 3-chloro-2-(oxazinan-2-ylsulfonyl)aniline?
The InChIKey is OKVTZPVQXCOFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c11-8-4-3-5-9(12)10(8)17(14,15)13-6-1-2-7-16-13/h3-5H,1-2,6-7,12H2.
What are the key properties of 3-chloro-2-(oxazinan-2-ylsulfonyl)aniline?
3-chloro-2-(oxazinan-2-ylsulfonyl)aniline has a molecular weight of 276.74 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(oxazinan-2-ylsulfonyl)aniline is sourced from PubChem (CID 113375337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).