4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide

C12H18N2O3S — CID 82834419

IUPAC4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide
SMILESCC1CCC(CNc2ccc(S(N)(=O)=O)cc2)O1
InChIInChI=1S/C12H18N2O3S/c1-9-2-5-11(17-9)8-14-10-3-6-12(7-4-10)18(13,15)16/h3-4,6-7,9,11,14H,2,5,8H2,1H3,(H2,13,15,16)
InChIKeyVTLFOIBCZHIQCS-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.31
Rot. Bonds4

About 4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide

4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide (PubChem CID 82834419) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide
PubChem CID82834419
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide
SMILESCC1CCC(CNc2ccc(S(N)(=O)=O)cc2)O1
InChIInChI=1S/C12H18N2O3S/c1-9-2-5-11(17-9)8-14-10-3-6-12(7-4-10)18(13,15)16/h3-4,6-7,9,11,14H,2,5,8H2,1H3,(H2,13,15,16)
InChIKeyVTLFOIBCZHIQCS-UHFFFAOYSA-N
XLogP1.31
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide (CID 82834419) is 4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide is CC1CCC(CNc2ccc(S(N)(=O)=O)cc2)O1.
What is the InChIKey of 4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide?
The InChIKey is VTLFOIBCZHIQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-2-5-11(17-9)8-14-10-3-6-12(7-4-10)18(13,15)16/h3-4,6-7,9,11,14H,2,5,8H2,1H3,(H2,13,15,16).
What are the key properties of 4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide?
4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 82834419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).