2-methyl-N-[1-(3-sulfamoylphenyl)propyl]oxolane-3-sulfonamide

C14H22N2O5S2 — CID 167773157

IUPAC2-methyl-N-[1-(3-sulfamoylphenyl)propyl]oxolane-3-sulfonamide
SMILESCCC(NS(=O)(=O)C1CCOC1C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O5S2/c1-3-13(11-5-4-6-12(9-11)22(15,17)18)16-23(19,20)14-7-8-21-10(14)2/h4-6,9-10,13-14,16H,3,7-8H2,1-2H3,(H2,15,17,18)
InChIKeyAPRVICULTDWSJL-UHFFFAOYSA-N
MW362.47 g/mol
LogP0.88
Rot. Bonds6

About 2-methyl-N-[1-(3-sulfamoylphenyl)propyl]oxolane-3-sulfonamide

2-methyl-N-[1-(3-sulfamoylphenyl)propyl]oxolane-3-sulfonamide (PubChem CID 167773157) has the molecular formula C14H22N2O5S2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-sulfamoylphenyl)propyl]oxolane-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[1-(3-sulfamoylphenyl)propyl]oxolane-3-sulfonamide
PubChem CID167773157
Molecular FormulaC14H22N2O5S2
Molecular Weight362.47 g/mol
Exact Mass362.10
IUPAC Name2-methyl-N-[1-(3-sulfamoylphenyl)propyl]oxolane-3-sulfonamide
SMILESCCC(NS(=O)(=O)C1CCOC1C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O5S2/c1-3-13(11-5-4-6-12(9-11)22(15,17)18)16-23(19,20)14-7-8-21-10(14)2/h4-6,9-10,13-14,16H,3,7-8H2,1-2H3,(H2,15,17,18)
InChIKeyAPRVICULTDWSJL-UHFFFAOYSA-N
XLogP0.88
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-sulfamoylphenyl)propyl]oxolane-3-sulfonamide?
The IUPAC name of 2-methyl-N-[1-(3-sulfamoylphenyl)propyl]oxolane-3-sulfonamide (CID 167773157) is 2-methyl-N-[1-(3-sulfamoylphenyl)propyl]oxolane-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-[1-(3-sulfamoylphenyl)propyl]oxolane-3-sulfonamide?
The canonical SMILES for 2-methyl-N-[1-(3-sulfamoylphenyl)propyl]oxolane-3-sulfonamide is CCC(NS(=O)(=O)C1CCOC1C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-methyl-N-[1-(3-sulfamoylphenyl)propyl]oxolane-3-sulfonamide?
The InChIKey is APRVICULTDWSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S2/c1-3-13(11-5-4-6-12(9-11)22(15,17)18)16-23(19,20)14-7-8-21-10(14)2/h4-6,9-10,13-14,16H,3,7-8H2,1-2H3,(H2,15,17,18).
What are the key properties of 2-methyl-N-[1-(3-sulfamoylphenyl)propyl]oxolane-3-sulfonamide?
2-methyl-N-[1-(3-sulfamoylphenyl)propyl]oxolane-3-sulfonamide has a molecular weight of 362.47 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-sulfamoylphenyl)propyl]oxolane-3-sulfonamide is sourced from PubChem (CID 167773157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).