[5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone

C22H21ClN2O3S — CID 22554570

IUPAC[5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(CS(=O)c2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H21ClN2O3S/c23-19-8-4-5-9-21(19)29(27)16-18-10-11-20(28-18)22(26)25-14-12-24(13-15-25)17-6-2-1-3-7-17/h1-11H,12-16H2
InChIKeyHNCYJMIWXKDCIW-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.20
Rot. Bonds5

About [5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone

[5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 22554570) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is [5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID22554570
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name[5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(CS(=O)c2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H21ClN2O3S/c23-19-8-4-5-9-21(19)29(27)16-18-10-11-20(28-18)22(26)25-14-12-24(13-15-25)17-6-2-1-3-7-17/h1-11H,12-16H2
InChIKeyHNCYJMIWXKDCIW-UHFFFAOYSA-N
XLogP4.20
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 22554569
5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxylic acid
CID 46371008
5-[[(S)-(2-chlorophenyl)sulfinyl]methyl]furan-2-carboxylic acid
CID 92730218
[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 20859513
[5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 20899400
[4-[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 22554672
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-[(2-methylphenyl)sulfinylmethyl]furan-2-yl]methanone
CID 20859556
[5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 124690489
[5-[(2-chlorophenoxy)methyl]furan-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1224869
[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[5-[[(S)-phenylsulfinyl]methyl]furan-2-yl]methanone
CID 92662326
[4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone
CID 95754485
[5-[[(2-chlorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3907012

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 22554570) is [5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccc(CS(=O)c2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is HNCYJMIWXKDCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c23-19-8-4-5-9-21(19)29(27)16-18-10-11-20(28-18)22(26)25-14-12-24(13-15-25)17-6-2-1-3-7-17/h1-11H,12-16H2.
What are the key properties of [5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone?
[5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 428.94 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 22554570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).