2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline

C16H17BrN2O4S — CID 3368163

IUPAC2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline
SMILESNc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O4S/c17-12-2-1-3-13(10-12)23-16-5-4-14(11-15(16)18)24(20,21)19-6-8-22-9-7-19/h1-5,10-11H,6-9,18H2
InChIKeyWCXJDCNXZFWZPB-UHFFFAOYSA-N
MW413.29 g/mol
LogP2.84
Rot. Bonds4

About 2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline

2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline (PubChem CID 3368163) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline.

Molecular Properties

Compound Name2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline
PubChem CID3368163
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC Name2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline
SMILESNc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O4S/c17-12-2-1-3-13(10-12)23-16-5-4-14(11-15(16)18)24(20,21)19-6-8-22-9-7-19/h1-5,10-11H,6-9,18H2
InChIKeyWCXJDCNXZFWZPB-UHFFFAOYSA-N
XLogP2.84
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-morpholin-4-ylsulfonylaniline
CID 115328547
5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline
CID 3868598
2-bromo-4-morpholin-4-ylsulfonylaniline
CID 54850283
2-(4-bromophenoxy)-5-morpholin-4-ylsulfonylbenzonitrile
CID 171989527
4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine
CID 71903877
4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine
CID 1257549
4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine
CID 9280495
N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
CID 60597463
4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
CID 2054799
4-(3-bromophenoxy)morpholine
CID 140501912
4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 17474569
4-[4-(2-chlorophenoxy)phenyl]sulfonylmorpholine
CID 2940068

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline?
The IUPAC name of 2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline (CID 3368163) is 2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline.
What is the SMILES notation for 2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline?
The canonical SMILES for 2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline is Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline?
The InChIKey is WCXJDCNXZFWZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c17-12-2-1-3-13(10-12)23-16-5-4-14(11-15(16)18)24(20,21)19-6-8-22-9-7-19/h1-5,10-11H,6-9,18H2.
What are the key properties of 2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline?
2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline has a molecular weight of 413.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline is sourced from PubChem (CID 3368163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).