2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide

C12H18N2O3S — CID 82727406

IUPAC2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
SMILESCc1c(NC2CCOC2C)cccc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-8-10(14-11-6-7-17-9(11)2)4-3-5-12(8)18(13,15)16/h3-5,9,11,14H,6-7H2,1-2H3,(H2,13,15,16)
InChIKeyPVDQZLMJFHCZDR-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.23
Rot. Bonds3

About 2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide

2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide (PubChem CID 82727406) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
PubChem CID82727406
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
SMILESCc1c(NC2CCOC2C)cccc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-8-10(14-11-6-7-17-9(11)2)4-3-5-12(8)18(13,15)16/h3-5,9,11,14H,6-7H2,1-2H3,(H2,13,15,16)
InChIKeyPVDQZLMJFHCZDR-UHFFFAOYSA-N
XLogP1.23
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide?
The IUPAC name of 2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide (CID 82727406) is 2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide is Cc1c(NC2CCOC2C)cccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide?
The InChIKey is PVDQZLMJFHCZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8-10(14-11-6-7-17-9(11)2)4-3-5-12(8)18(13,15)16/h3-5,9,11,14H,6-7H2,1-2H3,(H2,13,15,16).
What are the key properties of 2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide?
2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 82727406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).