4-(1-benzofuran-2-ylsulfonyl)morpholine

C12H13NO4S — CID 75494903

IUPAC4-(1-benzofuran-2-ylsulfonyl)morpholine
SMILESO=S(=O)(c1cc2ccccc2o1)N1CCOCC1
InChIInChI=1S/C12H13NO4S/c14-18(15,13-5-7-16-8-6-13)12-9-10-3-1-2-4-11(10)17-12/h1-4,9H,5-8H2
InChIKeyAVFIUUWYYPFIAY-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.45
Rot. Bonds2

About 4-(1-benzofuran-2-ylsulfonyl)morpholine

4-(1-benzofuran-2-ylsulfonyl)morpholine (PubChem CID 75494903) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-(1-benzofuran-2-ylsulfonyl)morpholine.

Molecular Properties

Compound Name4-(1-benzofuran-2-ylsulfonyl)morpholine
PubChem CID75494903
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name4-(1-benzofuran-2-ylsulfonyl)morpholine
SMILESO=S(=O)(c1cc2ccccc2o1)N1CCOCC1
InChIInChI=1S/C12H13NO4S/c14-18(15,13-5-7-16-8-6-13)12-9-10-3-1-2-4-11(10)17-12/h1-4,9H,5-8H2
InChIKeyAVFIUUWYYPFIAY-UHFFFAOYSA-N
XLogP1.45
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzofuran-2-Sulfonamide
CID 10750432
4-(1-Benzofuran-2-yl)benzenesulfonamide
CID 127029022
[(Dibenzofuran-2-sulfonyl)-methyl-amino]-acetic acid
CID 587478
N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzo[b,d]furan-2-sulfonamide
CID 2972762
1-(1-Benzofuran-2-ylsulfonyl)-4-ethyl-1,4-diazepane
CID 71858318
4-Dibenzofuran-2-ylsulfonylmorpholine
CID 559412
N-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide
CID 2295500
4-Dibenzofuran-3-ylsulfonylmorpholine
CID 2926916
Ethyl 3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxylate
CID 3237275
1-Benzofuran-2-sulfonyl chloride
CID 2795172
1-(Dibenzo[b,d]furan-2-ylsulfonyl)pyrrolidine
CID 9549706
1-[4-(1-Benzofuran-2-ylsulfonyl)-1,4-diazepan-1-yl]ethanone
CID 71922752

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-ylsulfonyl)morpholine?
The IUPAC name of 4-(1-benzofuran-2-ylsulfonyl)morpholine (CID 75494903) is 4-(1-benzofuran-2-ylsulfonyl)morpholine.
What is the SMILES notation for 4-(1-benzofuran-2-ylsulfonyl)morpholine?
The canonical SMILES for 4-(1-benzofuran-2-ylsulfonyl)morpholine is O=S(=O)(c1cc2ccccc2o1)N1CCOCC1.
What is the InChIKey of 4-(1-benzofuran-2-ylsulfonyl)morpholine?
The InChIKey is AVFIUUWYYPFIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S/c14-18(15,13-5-7-16-8-6-13)12-9-10-3-1-2-4-11(10)17-12/h1-4,9H,5-8H2.
What are the key properties of 4-(1-benzofuran-2-ylsulfonyl)morpholine?
4-(1-benzofuran-2-ylsulfonyl)morpholine has a molecular weight of 267.31 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-ylsulfonyl)morpholine is sourced from PubChem (CID 75494903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).