4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

C18H19BrN2O4S — CID 16895090

IUPAC4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H19BrN2O4S/c19-15-6-8-16(9-7-15)26(23,24)20-12-18(22)21-10-11-25-17(13-21)14-4-2-1-3-5-14/h1-9,17,20H,10-13H2
InChIKeyVQQLLRZVOWPHNT-UHFFFAOYSA-N
MW439.33 g/mol
LogP2.33
Rot. Bonds5

About 4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (PubChem CID 16895090) has the molecular formula C18H19BrN2O4S and a molecular weight of 439.33 g/mol. Its IUPAC name is 4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
PubChem CID16895090
Molecular FormulaC18H19BrN2O4S
Molecular Weight439.33 g/mol
Exact Mass438.02
IUPAC Name4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H19BrN2O4S/c19-15-6-8-16(9-7-15)26(23,24)20-12-18(22)21-10-11-25-17(13-21)14-4-2-1-3-5-14/h1-9,17,20H,10-13H2
InChIKeyVQQLLRZVOWPHNT-UHFFFAOYSA-N
XLogP2.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4,5,6-pentamethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895082
2-chloro-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 27375956
3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895102
2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895086
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-4-propan-2-ylbenzenesulfonamide
CID 16895203
5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895132
2-(cyclopentylamino)-1-(2-phenylmorpholin-4-yl)ethanone
CID 60963934
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-bromobenzenesulfonamide
CID 126148662
1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 47913307
6-(4-bromophenyl)-2-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]pyridazin-3-one
CID 52898852
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]-3-phenylpropanamide
CID 30851130

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (CID 16895090) is 4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is VQQLLRZVOWPHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4S/c19-15-6-8-16(9-7-15)26(23,24)20-12-18(22)21-10-11-25-17(13-21)14-4-2-1-3-5-14/h1-9,17,20H,10-13H2.
What are the key properties of 4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 439.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16895090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).