N-(2-bromophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

C17H16BrFN2O4S — CID 3452152

IUPACN-(2-bromophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1Br)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C17H16BrFN2O4S/c18-14-3-1-2-4-16(14)20-17(22)13-11-12(5-6-15(13)19)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22)
InChIKeyATQJGIKPRZDLCB-UHFFFAOYSA-N
MW443.29 g/mol
LogP2.86
Rot. Bonds4

About N-(2-bromophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

N-(2-bromophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 3452152) has the molecular formula C17H16BrFN2O4S and a molecular weight of 443.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
PubChem CID3452152
Molecular FormulaC17H16BrFN2O4S
Molecular Weight443.29 g/mol
Exact Mass442.00
IUPAC NameN-(2-bromophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1Br)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C17H16BrFN2O4S/c18-14-3-1-2-4-16(14)20-17(22)13-11-12(5-6-15(13)19)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22)
InChIKeyATQJGIKPRZDLCB-UHFFFAOYSA-N
XLogP2.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-bromophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (CID 3452152) is N-(2-bromophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-bromophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-bromophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccccc1Br)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of N-(2-bromophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ATQJGIKPRZDLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O4S/c18-14-3-1-2-4-16(14)20-17(22)13-11-12(5-6-15(13)19)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22).
What are the key properties of N-(2-bromophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
N-(2-bromophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 443.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 3452152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).