[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone

C16H16BrNO5S — CID 5307553

IUPAC[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCOCC1
InChIInChI=1S/C16H16BrNO5S/c17-12-1-4-14(5-2-12)24(20,21)11-13-3-6-15(23-13)16(19)18-7-9-22-10-8-18/h1-6H,7-11H2
InChIKeyPPQOGMRVCIKJSI-UHFFFAOYSA-N
MW414.28 g/mol
LogP2.49
Rot. Bonds4

About [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone

[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone (PubChem CID 5307553) has the molecular formula C16H16BrNO5S and a molecular weight of 414.28 g/mol. Its IUPAC name is [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone
PubChem CID5307553
Molecular FormulaC16H16BrNO5S
Molecular Weight414.28 g/mol
Exact Mass412.99
IUPAC Name[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCOCC1
InChIInChI=1S/C16H16BrNO5S/c17-12-1-4-14(5-2-12)24(20,21)11-13-3-6-15(23-13)16(19)18-7-9-22-10-8-18/h1-6H,7-11H2
InChIKeyPPQOGMRVCIKJSI-UHFFFAOYSA-N
XLogP2.49
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 3593661
[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 3593666
azepan-1-yl-[5-(benzenesulfonylmethyl)furan-2-yl]methanone
CID 4790235
[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 5307714
[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 5308528
[5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3242171
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 26865488
3-(4-bromophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 15997972
N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859597
[5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 20859632
(4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone
CID 3593870

Frequently Asked Questions

What is the IUPAC name of [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone (CID 5307553) is [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone is O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCOCC1.
What is the InChIKey of [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
The InChIKey is PPQOGMRVCIKJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO5S/c17-12-1-4-14(5-2-12)24(20,21)11-13-3-6-15(23-13)16(19)18-7-9-22-10-8-18/h1-6H,7-11H2.
What are the key properties of [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone has a molecular weight of 414.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 5307553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).