4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

C17H17BrN2O4S — CID 2206016

IUPAC4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C17H17BrN2O4S/c18-13-5-7-14(8-6-13)25(22,23)19-16-4-2-1-3-15(16)17(21)20-9-11-24-12-10-20/h1-8,19H,9-12H2
InChIKeyDJTZFUZXIMUCDL-UHFFFAOYSA-N
MW425.30 g/mol
LogP2.72
Rot. Bonds4

About 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 2206016) has the molecular formula C17H17BrN2O4S and a molecular weight of 425.30 g/mol. Its IUPAC name is 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID2206016
Molecular FormulaC17H17BrN2O4S
Molecular Weight425.30 g/mol
Exact Mass424.01
IUPAC Name4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C17H17BrN2O4S/c18-13-5-7-14(8-6-13)25(22,23)19-16-4-2-1-3-15(16)17(21)20-9-11-24-12-10-20/h1-8,19H,9-12H2
InChIKeyDJTZFUZXIMUCDL-UHFFFAOYSA-N
XLogP2.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (CID 2206016) is 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is DJTZFUZXIMUCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4S/c18-13-5-7-14(8-6-13)25(22,23)19-16-4-2-1-3-15(16)17(21)20-9-11-24-12-10-20/h1-8,19H,9-12H2.
What are the key properties of 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 425.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2206016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).