2-(4-bromophenoxy)-5-morpholin-4-ylsulfonylbenzonitrile

C17H15BrN2O4S — CID 171989527

IUPAC2-(4-bromophenoxy)-5-morpholin-4-ylsulfonylbenzonitrile
SMILESN#Cc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O4S/c18-14-1-3-15(4-2-14)24-17-6-5-16(11-13(17)12-19)25(21,22)20-7-9-23-10-8-20/h1-6,11H,7-10H2
InChIKeyQXBKZYVEOCUFIK-UHFFFAOYSA-N
MW423.29 g/mol
LogP3.13
Rot. Bonds4

About 2-(4-bromophenoxy)-5-morpholin-4-ylsulfonylbenzonitrile

2-(4-bromophenoxy)-5-morpholin-4-ylsulfonylbenzonitrile (PubChem CID 171989527) has the molecular formula C17H15BrN2O4S and a molecular weight of 423.29 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-5-morpholin-4-ylsulfonylbenzonitrile.

Molecular Properties

Compound Name2-(4-bromophenoxy)-5-morpholin-4-ylsulfonylbenzonitrile
PubChem CID171989527
Molecular FormulaC17H15BrN2O4S
Molecular Weight423.29 g/mol
Exact Mass421.99
IUPAC Name2-(4-bromophenoxy)-5-morpholin-4-ylsulfonylbenzonitrile
SMILESN#Cc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O4S/c18-14-1-3-15(4-2-14)24-17-6-5-16(11-13(17)12-19)25(21,22)20-7-9-23-10-8-20/h1-6,11H,7-10H2
InChIKeyQXBKZYVEOCUFIK-UHFFFAOYSA-N
XLogP3.13
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine
CID 1257549
2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline
CID 3368163
[4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone
CID 3419946
4-[4-(2-chlorophenoxy)phenyl]sulfonylmorpholine
CID 2940068
2-(3,5-dichlorophenoxy)-5-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzonitrile
CID 69341796
4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
CID 24979086
4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine
CID 9280495
2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline
CID 112811144
2-(2-morpholin-4-ylsulfonyl-4-nitrophenoxy)benzonitrile
CID 3677173
4-[4-(2,3-dihydro-1H-inden-5-yloxy)-3-nitrophenyl]sulfonylmorpholine
CID 4789878
2-(4-bromophenoxy)-5-formylbenzonitrile
CID 114063339
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide
CID 28579503

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-5-morpholin-4-ylsulfonylbenzonitrile?
The IUPAC name of 2-(4-bromophenoxy)-5-morpholin-4-ylsulfonylbenzonitrile (CID 171989527) is 2-(4-bromophenoxy)-5-morpholin-4-ylsulfonylbenzonitrile.
What is the SMILES notation for 2-(4-bromophenoxy)-5-morpholin-4-ylsulfonylbenzonitrile?
The canonical SMILES for 2-(4-bromophenoxy)-5-morpholin-4-ylsulfonylbenzonitrile is N#Cc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-5-morpholin-4-ylsulfonylbenzonitrile?
The InChIKey is QXBKZYVEOCUFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O4S/c18-14-1-3-15(4-2-14)24-17-6-5-16(11-13(17)12-19)25(21,22)20-7-9-23-10-8-20/h1-6,11H,7-10H2.
What are the key properties of 2-(4-bromophenoxy)-5-morpholin-4-ylsulfonylbenzonitrile?
2-(4-bromophenoxy)-5-morpholin-4-ylsulfonylbenzonitrile has a molecular weight of 423.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-5-morpholin-4-ylsulfonylbenzonitrile is sourced from PubChem (CID 171989527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).