4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide

C11H16N2O5S2 — CID 104600653

IUPAC4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide
SMILESCOC1CC(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C11H16N2O5S2/c1-18-9-6-8(7-9)13-20(16,17)11-4-2-10(3-5-11)19(12,14)15/h2-5,8-9,13H,6-7H2,1H3,(H2,12,14,15)
InChIKeyUVRLPMTZYXNSEF-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.21
Rot. Bonds5

About 4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide

4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide (PubChem CID 104600653) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide
PubChem CID104600653
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide
SMILESCOC1CC(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C11H16N2O5S2/c1-18-9-6-8(7-9)13-20(16,17)11-4-2-10(3-5-11)19(12,14)15/h2-5,8-9,13H,6-7H2,1H3,(H2,12,14,15)
InChIKeyUVRLPMTZYXNSEF-UHFFFAOYSA-N
XLogP-0.21
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 104600641
4-[(3-methoxycyclobutyl)amino]benzenesulfonamide
CID 106821257
4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide
CID 114118595
4-(cyanomethyl)-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 104600613
4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide
CID 104872021
4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide
CID 62088805
3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide
CID 102609465
2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 113431371
4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 106002176
4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 103911415
2-amino-5-chloro-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 114118594
4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide
CID 102609509

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide?
The IUPAC name of 4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide (CID 104600653) is 4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide is COC1CC(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide?
The InChIKey is UVRLPMTZYXNSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-18-9-6-8(7-9)13-20(16,17)11-4-2-10(3-5-11)19(12,14)15/h2-5,8-9,13H,6-7H2,1H3,(H2,12,14,15).
What are the key properties of 4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide?
4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide has a molecular weight of 320.39 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide is sourced from PubChem (CID 104600653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).