N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]oxolane-2-carboxamide

C13H17ClN2O4S — CID 42953680

IUPACN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCCO1
InChIInChI=1S/C13H17ClN2O4S/c14-10-3-1-4-11(9-10)21(18,19)16-7-6-15-13(17)12-5-2-8-20-12/h1,3-4,9,12,16H,2,5-8H2,(H,15,17)
InChIKeyARVIWONBAYOMRZ-UHFFFAOYSA-N
MW332.81 g/mol
LogP0.91
Rot. Bonds6

About N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]oxolane-2-carboxamide

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]oxolane-2-carboxamide (PubChem CID 42953680) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]oxolane-2-carboxamide
PubChem CID42953680
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCCO1
InChIInChI=1S/C13H17ClN2O4S/c14-10-3-1-4-11(9-10)21(18,19)16-7-6-15-13(17)12-5-2-8-20-12/h1,3-4,9,12,16H,2,5-8H2,(H,15,17)
InChIKeyARVIWONBAYOMRZ-UHFFFAOYSA-N
XLogP0.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]oxolane-2-carboxamide (CID 42953680) is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]oxolane-2-carboxamide is O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCCO1.
What is the InChIKey of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]oxolane-2-carboxamide?
The InChIKey is ARVIWONBAYOMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c14-10-3-1-4-11(9-10)21(18,19)16-7-6-15-13(17)12-5-2-8-20-12/h1,3-4,9,12,16H,2,5-8H2,(H,15,17).
What are the key properties of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]oxolane-2-carboxamide?
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]oxolane-2-carboxamide has a molecular weight of 332.81 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 42953680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).