4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide

C11H13BrClNO3S — CID 63362034

IUPAC4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCOC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H13BrClNO3S/c12-8-3-4-11(10(13)6-8)18(15,16)14-9-2-1-5-17-7-9/h3-4,6,9,14H,1-2,5,7H2
InChIKeyAUXRJNNRUVARNX-UHFFFAOYSA-N
MW354.65 g/mol
LogP2.56
Rot. Bonds3

About 4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide

4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide (PubChem CID 63362034) has the molecular formula C11H13BrClNO3S and a molecular weight of 354.65 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide
PubChem CID63362034
Molecular FormulaC11H13BrClNO3S
Molecular Weight354.65 g/mol
Exact Mass352.95
IUPAC Name4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCOC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H13BrClNO3S/c12-8-3-4-11(10(13)6-8)18(15,16)14-9-2-1-5-17-7-9/h3-4,6,9,14H,1-2,5,7H2
InChIKeyAUXRJNNRUVARNX-UHFFFAOYSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.65
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-nitro-N-(oxan-3-yl)benzenesulfonamide
CID 63363283
4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 115695674
N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 66186086
4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 60640100
2-chloro-4-methyl-5-nitro-N-[(3R)-oxan-3-yl]benzenesulfonamide
CID 97001248
4-bromo-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42999359
2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065187
2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide
CID 114135006
2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 80713106
2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide
CID 63359825
4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 62963448
N-[2-(aminomethyl)cyclopentyl]-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119985581

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide (CID 63362034) is 4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide is O=S(=O)(NC1CCCOC1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide?
The InChIKey is AUXRJNNRUVARNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO3S/c12-8-3-4-11(10(13)6-8)18(15,16)14-9-2-1-5-17-7-9/h3-4,6,9,14H,1-2,5,7H2.
What are the key properties of 4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide?
4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide has a molecular weight of 354.65 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide is sourced from PubChem (CID 63362034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).