3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide

C12H18N2O5S2 — CID 102609465

IUPAC3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide
SMILESCCOC1CC(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C12H18N2O5S2/c1-2-19-10-6-9(7-10)14-21(17,18)12-5-3-4-11(8-12)20(13,15)16/h3-5,8-10,14H,2,6-7H2,1H3,(H2,13,15,16)
InChIKeySLSQZKBGXZIXOP-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.18
Rot. Bonds6

About 3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide

3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide (PubChem CID 102609465) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide
PubChem CID102609465
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide
SMILESCCOC1CC(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C12H18N2O5S2/c1-2-19-10-6-9(7-10)14-21(17,18)12-5-3-4-11(8-12)20(13,15)16/h3-5,8-10,14H,2,6-7H2,1H3,(H2,13,15,16)
InChIKeySLSQZKBGXZIXOP-UHFFFAOYSA-N
XLogP0.18
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide
CID 102609509
N-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide
CID 114120079
2-amino-N-(3-ethoxycyclobutyl)pyrimidine-5-sulfonamide
CID 114120750
3-N-(2-methylpiperidin-4-yl)benzene-1,3-disulfonamide
CID 106995777
3-N-(oxan-4-yl)benzene-1,3-disulfonamide
CID 43610535
4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide
CID 104600653
3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide
CID 18284788
N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide
CID 102610643
5-(aminomethyl)-N-(3-ethoxycyclobutyl)furan-2-sulfonamide
CID 114120981
3-N-(oxan-3-yl)benzene-1,3-disulfonamide
CID 63361521
N-(3-ethoxycyclobutyl)-3-fluoropyridine-2-sulfonamide
CID 114118992
3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 114118203

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide?
The IUPAC name of 3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide (CID 102609465) is 3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide is CCOC1CC(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1.
What is the InChIKey of 3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide?
The InChIKey is SLSQZKBGXZIXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-2-19-10-6-9(7-10)14-21(17,18)12-5-3-4-11(8-12)20(13,15)16/h3-5,8-10,14H,2,6-7H2,1H3,(H2,13,15,16).
What are the key properties of 3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide?
3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide has a molecular weight of 334.42 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide is sourced from PubChem (CID 102609465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).