N-[5-(4-chlorophenyl)-3,4-dihydroxyoxolan-2-yl]ethanesulfonamide

C12H16ClNO5S — CID 171346264

IUPACN-[5-(4-chlorophenyl)-3,4-dihydroxyoxolan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1OC(c2ccc(Cl)cc2)C(O)C1O
InChIInChI=1S/C12H16ClNO5S/c1-2-20(17,18)14-12-10(16)9(15)11(19-12)7-3-5-8(13)6-4-7/h3-6,9-12,14-16H,2H2,1H3
InChIKeyUXHPOFJOYJWFKS-UHFFFAOYSA-N
MW321.78 g/mol
LogP0.40
Rot. Bonds4

About N-[5-(4-chlorophenyl)-3,4-dihydroxyoxolan-2-yl]ethanesulfonamide

N-[5-(4-chlorophenyl)-3,4-dihydroxyoxolan-2-yl]ethanesulfonamide (PubChem CID 171346264) has the molecular formula C12H16ClNO5S and a molecular weight of 321.78 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-3,4-dihydroxyoxolan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-3,4-dihydroxyoxolan-2-yl]ethanesulfonamide
PubChem CID171346264
Molecular FormulaC12H16ClNO5S
Molecular Weight321.78 g/mol
Exact Mass321.04
IUPAC NameN-[5-(4-chlorophenyl)-3,4-dihydroxyoxolan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1OC(c2ccc(Cl)cc2)C(O)C1O
InChIInChI=1S/C12H16ClNO5S/c1-2-20(17,18)14-12-10(16)9(15)11(19-12)7-3-5-8(13)6-4-7/h3-6,9-12,14-16H,2H2,1H3
InChIKeyUXHPOFJOYJWFKS-UHFFFAOYSA-N
XLogP0.40
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-3,4-dihydroxyoxolan-2-yl]ethanesulfonamide?
The IUPAC name of N-[5-(4-chlorophenyl)-3,4-dihydroxyoxolan-2-yl]ethanesulfonamide (CID 171346264) is N-[5-(4-chlorophenyl)-3,4-dihydroxyoxolan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-3,4-dihydroxyoxolan-2-yl]ethanesulfonamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-3,4-dihydroxyoxolan-2-yl]ethanesulfonamide is CCS(=O)(=O)NC1OC(c2ccc(Cl)cc2)C(O)C1O.
What is the InChIKey of N-[5-(4-chlorophenyl)-3,4-dihydroxyoxolan-2-yl]ethanesulfonamide?
The InChIKey is UXHPOFJOYJWFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO5S/c1-2-20(17,18)14-12-10(16)9(15)11(19-12)7-3-5-8(13)6-4-7/h3-6,9-12,14-16H,2H2,1H3.
What are the key properties of N-[5-(4-chlorophenyl)-3,4-dihydroxyoxolan-2-yl]ethanesulfonamide?
N-[5-(4-chlorophenyl)-3,4-dihydroxyoxolan-2-yl]ethanesulfonamide has a molecular weight of 321.78 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-3,4-dihydroxyoxolan-2-yl]ethanesulfonamide is sourced from PubChem (CID 171346264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).