4-[1-[(2-bromophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride

C19H19BrFNO5S — CID 177256767

IUPAC4-[1-[(2-bromophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride
SMILESO=C(C(OCc1ccccc1Br)c1ccc(S(=O)(=O)F)cc1)N1CCOCC1
InChIInChI=1S/C19H19BrFNO5S/c20-17-4-2-1-3-15(17)13-27-18(19(23)22-9-11-26-12-10-22)14-5-7-16(8-6-14)28(21,24)25/h1-8,18H,9-13H2
InChIKeyJDNSYOVDBPONMM-UHFFFAOYSA-N
MW472.33 g/mol
LogP3.22
Rot. Bonds6

About 4-[1-[(2-bromophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride

4-[1-[(2-bromophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride (PubChem CID 177256767) has the molecular formula C19H19BrFNO5S and a molecular weight of 472.33 g/mol. Its IUPAC name is 4-[1-[(2-bromophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-[1-[(2-bromophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride
PubChem CID177256767
Molecular FormulaC19H19BrFNO5S
Molecular Weight472.33 g/mol
Exact Mass471.02
IUPAC Name4-[1-[(2-bromophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride
SMILESO=C(C(OCc1ccccc1Br)c1ccc(S(=O)(=O)F)cc1)N1CCOCC1
InChIInChI=1S/C19H19BrFNO5S/c20-17-4-2-1-3-15(17)13-27-18(19(23)22-9-11-26-12-10-22)14-5-7-16(8-6-14)28(21,24)25/h1-8,18H,9-13H2
InChIKeyJDNSYOVDBPONMM-UHFFFAOYSA-N
XLogP3.22
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-bromophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride?
The IUPAC name of 4-[1-[(2-bromophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride (CID 177256767) is 4-[1-[(2-bromophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride.
What is the SMILES notation for 4-[1-[(2-bromophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride?
The canonical SMILES for 4-[1-[(2-bromophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride is O=C(C(OCc1ccccc1Br)c1ccc(S(=O)(=O)F)cc1)N1CCOCC1.
What is the InChIKey of 4-[1-[(2-bromophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride?
The InChIKey is JDNSYOVDBPONMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFNO5S/c20-17-4-2-1-3-15(17)13-27-18(19(23)22-9-11-26-12-10-22)14-5-7-16(8-6-14)28(21,24)25/h1-8,18H,9-13H2.
What are the key properties of 4-[1-[(2-bromophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride?
4-[1-[(2-bromophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride has a molecular weight of 472.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-bromophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride is sourced from PubChem (CID 177256767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).