[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(furan-2-yl)methanone

C14H12ClNO4S — CID 71809455

IUPAC[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H12ClNO4S/c15-10-3-5-11(6-4-10)21(18,19)12-8-16(9-12)14(17)13-2-1-7-20-13/h1-7,12H,8-9H2
InChIKeyASPTZZYECJRMCW-UHFFFAOYSA-N
MW325.77 g/mol
LogP2.23
Rot. Bonds3

About [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(furan-2-yl)methanone

[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(furan-2-yl)methanone (PubChem CID 71809455) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(furan-2-yl)methanone
PubChem CID71809455
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H12ClNO4S/c15-10-3-5-11(6-4-10)21(18,19)12-8-16(9-12)14(17)13-2-1-7-20-13/h1-7,12H,8-9H2
InChIKeyASPTZZYECJRMCW-UHFFFAOYSA-N
XLogP2.23
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 90594863
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one
CID 90594832
[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 90594882
furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591686
furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805486
2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605217
2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592926
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
furan-2-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185227
(3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone
CID 110602243
N-(2-chloroethyl)-3-(4-chlorophenyl)sulfonylazetidine-1-carboxamide
CID 90595114

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(furan-2-yl)methanone (CID 71809455) is [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is ASPTZZYECJRMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c15-10-3-5-11(6-4-10)21(18,19)12-8-16(9-12)14(17)13-2-1-7-20-13/h1-7,12H,8-9H2.
What are the key properties of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(furan-2-yl)methanone?
[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 325.77 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 71809455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).