4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide

C12H16Cl2N2O3S — CID 63726263

IUPAC4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)NCC2CCOCC2)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O3S/c13-10-5-9(15)6-11(14)12(10)20(17,18)16-7-8-1-3-19-4-2-8/h5-6,8,16H,1-4,7,15H2
InChIKeyYJHAICSPVZLCRF-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.28
Rot. Bonds4

About 4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide

4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide (PubChem CID 63726263) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide
PubChem CID63726263
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC Name4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)NCC2CCOCC2)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O3S/c13-10-5-9(15)6-11(14)12(10)20(17,18)16-7-8-1-3-19-4-2-8/h5-6,8,16H,1-4,7,15H2
InChIKeyYJHAICSPVZLCRF-UHFFFAOYSA-N
XLogP2.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.28
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-chloro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726955
6-amino-5-chloro-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide
CID 64602485
4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 60727630
5-amino-2-fluoro-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 80645574
4-bromo-N-[(4-bromocyclohexyl)methyl]-2,6-dichlorobenzenesulfonamide
CID 106136164
5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide
CID 43370937
2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 106890339
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
CID 63294574
3-amino-4-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725059
4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide
CID 43256975
2-chloro-5-nitro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63711095

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide (CID 63726263) is 4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide is Nc1cc(Cl)c(S(=O)(=O)NCC2CCOCC2)c(Cl)c1.
What is the InChIKey of 4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide?
The InChIKey is YJHAICSPVZLCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c13-10-5-9(15)6-11(14)12(10)20(17,18)16-7-8-1-3-19-4-2-8/h5-6,8,16H,1-4,7,15H2.
What are the key properties of 4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide?
4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide has a molecular weight of 339.24 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 63726263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).