3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide

C12H18N2O3S — CID 106821455

IUPAC3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide
SMILESCOC1CC(Nc2cccc(S(N)(=O)=O)c2C)C1
InChIInChI=1S/C12H18N2O3S/c1-8-11(14-9-6-10(7-9)17-2)4-3-5-12(8)18(13,15)16/h3-5,9-10,14H,6-7H2,1-2H3,(H2,13,15,16)
InChIKeyUNFWSARLNTWILN-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.23
Rot. Bonds4

About 3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide

3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide (PubChem CID 106821455) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide
PubChem CID106821455
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide
SMILESCOC1CC(Nc2cccc(S(N)(=O)=O)c2C)C1
InChIInChI=1S/C12H18N2O3S/c1-8-11(14-9-6-10(7-9)17-2)4-3-5-12(8)18(13,15)16/h3-5,9-10,14H,6-7H2,1-2H3,(H2,13,15,16)
InChIKeyUNFWSARLNTWILN-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide?
The IUPAC name of 3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide (CID 106821455) is 3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide is COC1CC(Nc2cccc(S(N)(=O)=O)c2C)C1.
What is the InChIKey of 3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide?
The InChIKey is UNFWSARLNTWILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8-11(14-9-6-10(7-9)17-2)4-3-5-12(8)18(13,15)16/h3-5,9-10,14H,6-7H2,1-2H3,(H2,13,15,16).
What are the key properties of 3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide?
3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 106821455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).