[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone

C22H27BrN2O4S — CID 3593661

IUPAC[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H27BrN2O4S/c23-17-6-9-20(10-7-17)30(27,28)16-19-8-11-21(29-19)22(26)25-14-12-24(13-15-25)18-4-2-1-3-5-18/h6-11,18H,1-5,12-16H2
InChIKeyMUMGLGDCUXUIKB-UHFFFAOYSA-N
MW495.44 g/mol
LogP4.11
Rot. Bonds5

About [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone

[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone (PubChem CID 3593661) has the molecular formula C22H27BrN2O4S and a molecular weight of 495.44 g/mol. Its IUPAC name is [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
PubChem CID3593661
Molecular FormulaC22H27BrN2O4S
Molecular Weight495.44 g/mol
Exact Mass494.09
IUPAC Name[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H27BrN2O4S/c23-17-6-9-20(10-7-17)30(27,28)16-19-8-11-21(29-19)22(26)25-14-12-24(13-15-25)18-4-2-1-3-5-18/h6-11,18H,1-5,12-16H2
InChIKeyMUMGLGDCUXUIKB-UHFFFAOYSA-N
XLogP4.11
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 5307553
azepan-1-yl-[5-(benzenesulfonylmethyl)furan-2-yl]methanone
CID 4790235
[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 3593666
(4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone
CID 3593870
[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 5307714
1-[4-[5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]furan-2-carbonyl]piperazin-1-yl]ethanone
CID 42750851
[3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 46354970
[5-(benzenesulfonylmethyl)furan-2-yl]-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 102554617
[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 26865488
[4-(bromomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 102851595
[5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3242171
5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one
CID 55761211

Frequently Asked Questions

What is the IUPAC name of [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone (CID 3593661) is [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone is O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The InChIKey is MUMGLGDCUXUIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O4S/c23-17-6-9-20(10-7-17)30(27,28)16-19-8-11-21(29-19)22(26)25-14-12-24(13-15-25)18-4-2-1-3-5-18/h6-11,18H,1-5,12-16H2.
What are the key properties of [5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone has a molecular weight of 495.44 g/mol, XLogP of 4.11, 5 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]-(4-cyclohexylpiperazin-1-yl)methanone is sourced from PubChem (CID 3593661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).