2-bromo-N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide

C14H18BrNO3S — CID 90313297

IUPAC2-bromo-N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1Br)N(C1CCOCC1)C1CC1
InChIInChI=1S/C14H18BrNO3S/c15-13-3-1-2-4-14(13)20(17,18)16(11-5-6-11)12-7-9-19-10-8-12/h1-4,11-12H,5-10H2
InChIKeyFIMIIJSUQQWSHI-UHFFFAOYSA-N
MW360.27 g/mol
LogP2.78
Rot. Bonds4

About 2-bromo-N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide

2-bromo-N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 90313297) has the molecular formula C14H18BrNO3S and a molecular weight of 360.27 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide
PubChem CID90313297
Molecular FormulaC14H18BrNO3S
Molecular Weight360.27 g/mol
Exact Mass359.02
IUPAC Name2-bromo-N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1Br)N(C1CCOCC1)C1CC1
InChIInChI=1S/C14H18BrNO3S/c15-13-3-1-2-4-14(13)20(17,18)16(11-5-6-11)12-7-9-19-10-8-12/h1-4,11-12H,5-10H2
InChIKeyFIMIIJSUQQWSHI-UHFFFAOYSA-N
XLogP2.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide (CID 90313297) is 2-bromo-N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide is O=S(=O)(c1ccccc1Br)N(C1CCOCC1)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is FIMIIJSUQQWSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3S/c15-13-3-1-2-4-14(13)20(17,18)16(11-5-6-11)12-7-9-19-10-8-12/h1-4,11-12H,5-10H2.
What are the key properties of 2-bromo-N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide?
2-bromo-N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 360.27 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 90313297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).