3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide

C13H19ClN2O3S — CID 43610678

IUPAC3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)N(C)C2CCOCC2)cc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-9-12(14)7-11(8-13(9)15)20(17,18)16(2)10-3-5-19-6-4-10/h7-8,10H,3-6,15H2,1-2H3
InChIKeyZOTICOSJIPQSTK-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.03
Rot. Bonds3

About 3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide

3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 43610678) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide
PubChem CID43610678
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)N(C)C2CCOCC2)cc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-9-12(14)7-11(8-13(9)15)20(17,18)16(2)10-3-5-19-6-4-10/h7-8,10H,3-6,15H2,1-2H3
InChIKeyZOTICOSJIPQSTK-UHFFFAOYSA-N
XLogP2.03
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)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

3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266875
3-amino-N,4,5-trimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82740817
5,6-dichloro-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide
CID 64607393
3-amino-5-chloro-N-(cyclopropylmethyl)-N,4-dimethylbenzenesulfonamide
CID 54904750
3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43610677
3-chloro-4-(hydroxymethyl)-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 107090640
3-chloro-4-(chloromethyl)-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 107090975
3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43264640
3-amino-N-butyl-5-chloro-N-cyclopropyl-4-methylbenzenesulfonamide
CID 61113158
3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113120
3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879071
3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 106505264

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide (CID 43610678) is 3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide is Cc1c(N)cc(S(=O)(=O)N(C)C2CCOCC2)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is ZOTICOSJIPQSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-9-12(14)7-11(8-13(9)15)20(17,18)16(2)10-3-5-19-6-4-10/h7-8,10H,3-6,15H2,1-2H3.
What are the key properties of 3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide?
3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 318.83 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 43610678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).