4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide

C12H19N3O3S — CID 82906942

IUPAC4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide
SMILESCOC1CCCC1Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C12H19N3O3S/c1-18-12-4-2-3-10(12)15-11-7-8(19(14,16)17)5-6-9(11)13/h5-7,10,12,15H,2-4,13H2,1H3,(H2,14,16,17)
InChIKeyLCMDRSKJLBMASP-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.90
Rot. Bonds4

About 4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide

4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide (PubChem CID 82906942) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide
PubChem CID82906942
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide
SMILESCOC1CCCC1Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C12H19N3O3S/c1-18-12-4-2-3-10(12)15-11-7-8(19(14,16)17)5-6-9(11)13/h5-7,10,12,15H,2-4,13H2,1H3,(H2,14,16,17)
InChIKeyLCMDRSKJLBMASP-UHFFFAOYSA-N
XLogP0.90
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide (CID 82906942) is 4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide is COC1CCCC1Nc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide?
The InChIKey is LCMDRSKJLBMASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-18-12-4-2-3-10(12)15-11-7-8(19(14,16)17)5-6-9(11)13/h5-7,10,12,15H,2-4,13H2,1H3,(H2,14,16,17).
What are the key properties of 4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide?
4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide is sourced from PubChem (CID 82906942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).