N-(2,5-dihydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl)benzenesulfonamide

C17H17NO5S — CID 77333168

IUPACN-(2,5-dihydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl)benzenesulfonamide
SMILESO=S(=O)(NC1C(O)CC2Oc3c(O)cccc3C21)c1ccccc1
InChIInChI=1S/C17H17NO5S/c19-12-8-4-7-11-15-14(23-17(11)12)9-13(20)16(15)18-24(21,22)10-5-2-1-3-6-10/h1-8,13-16,18-20H,9H2
InChIKeyIKUPWPQZWIOOEL-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.35
Rot. Bonds3

About N-(2,5-dihydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl)benzenesulfonamide

N-(2,5-dihydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl)benzenesulfonamide (PubChem CID 77333168) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is N-(2,5-dihydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dihydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl)benzenesulfonamide
PubChem CID77333168
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC NameN-(2,5-dihydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl)benzenesulfonamide
SMILESO=S(=O)(NC1C(O)CC2Oc3c(O)cccc3C21)c1ccccc1
InChIInChI=1S/C17H17NO5S/c19-12-8-4-7-11-15-14(23-17(11)12)9-13(20)16(15)18-24(21,22)10-5-2-1-3-6-10/h1-8,13-16,18-20H,9H2
InChIKeyIKUPWPQZWIOOEL-UHFFFAOYSA-N
XLogP1.35
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl)benzenesulfonamide?
The IUPAC name of N-(2,5-dihydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl)benzenesulfonamide (CID 77333168) is N-(2,5-dihydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dihydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2,5-dihydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl)benzenesulfonamide is O=S(=O)(NC1C(O)CC2Oc3c(O)cccc3C21)c1ccccc1.
What is the InChIKey of N-(2,5-dihydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl)benzenesulfonamide?
The InChIKey is IKUPWPQZWIOOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c19-12-8-4-7-11-15-14(23-17(11)12)9-13(20)16(15)18-24(21,22)10-5-2-1-3-6-10/h1-8,13-16,18-20H,9H2.
What are the key properties of N-(2,5-dihydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl)benzenesulfonamide?
N-(2,5-dihydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl)benzenesulfonamide has a molecular weight of 347.39 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl)benzenesulfonamide is sourced from PubChem (CID 77333168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).