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

C12H19N3O3S — CID 79467242

IUPAC2-amino-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide
SMILESCOC1CCCC1Nc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C12H19N3O3S/c1-18-11-4-2-3-10(11)15-8-5-6-12(9(13)7-8)19(14,16)17/h5-7,10-11,15H,2-4,13H2,1H3,(H2,14,16,17)
InChIKeyJPSIEGCYHXZSBS-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.90
Rot. Bonds4

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

2-amino-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide (PubChem CID 79467242) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-amino-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide
PubChem CID79467242
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-amino-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide
SMILESCOC1CCCC1Nc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C12H19N3O3S/c1-18-11-4-2-3-10(11)15-8-5-6-12(9(13)7-8)19(14,16)17/h5-7,10-11,15H,2-4,13H2,1H3,(H2,14,16,17)
InChIKeyJPSIEGCYHXZSBS-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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Related Compounds

2-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 62088243
4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 82906942
N-(2-methoxycyclopentyl)-4-methylsulfonylaniline
CID 55033416
2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide
CID 79466462
4-N-(2-methoxycyclopentyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002880
2-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide
CID 79467520
N-(2-methoxycyclopentyl)-4-nitroaniline
CID 62086642
N-cyclopropyl-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 62087885
2-amino-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide
CID 79466437
3,4-difluoro-N-(2-methoxycyclohexyl)aniline
CID 43761652
2-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide
CID 79466811
4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide
CID 62088805

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide (CID 79467242) is 2-amino-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide is COC1CCCC1Nc1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide?
The InChIKey is JPSIEGCYHXZSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-18-11-4-2-3-10(11)15-8-5-6-12(9(13)7-8)19(14,16)17/h5-7,10-11,15H,2-4,13H2,1H3,(H2,14,16,17).
What are the key properties of 2-amino-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide?
2-amino-4-[(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 2-amino-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide is sourced from PubChem (CID 79467242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).