4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide

C12H18N2O5S2 — CID 62088805

IUPAC4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide
SMILESCOC1CCCC1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O5S2/c1-19-12-4-2-3-11(12)14-21(17,18)10-7-5-9(6-8-10)20(13,15)16/h5-8,11-12,14H,2-4H2,1H3,(H2,13,15,16)
InChIKeyDCCULOKUKKMQMO-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.18
Rot. Bonds5

About 4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide

4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide (PubChem CID 62088805) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide
PubChem CID62088805
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide
SMILESCOC1CCCC1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O5S2/c1-19-12-4-2-3-11(12)14-21(17,18)10-7-5-9(6-8-10)20(13,15)16/h5-8,11-12,14H,2-4H2,1H3,(H2,13,15,16)
InChIKeyDCCULOKUKKMQMO-UHFFFAOYSA-N
XLogP0.18
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

N-cyclopropyl-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 62087885
N-(2-methoxycyclopentyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62146356
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide
CID 110125489
4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 82906942
3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide
CID 107090747
N-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide
CID 101495725
3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide
CID 62088716
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide
CID 104600653
2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide
CID 62087824
2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide
CID 62088634
4-amino-N-(2-cyclopentyloxycyclohexyl)benzenesulfonamide
CID 86790763

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide?
The IUPAC name of 4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide (CID 62088805) is 4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide is COC1CCCC1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide?
The InChIKey is DCCULOKUKKMQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-19-12-4-2-3-11(12)14-21(17,18)10-7-5-9(6-8-10)20(13,15)16/h5-8,11-12,14H,2-4H2,1H3,(H2,13,15,16).
What are the key properties of 4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide?
4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide has a molecular weight of 334.42 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide is sourced from PubChem (CID 62088805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).