3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide

C12H19N3O3S — CID 65103324

IUPAC3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)ccc1NCC1(O)CCCC1
InChIInChI=1S/C12H19N3O3S/c13-10-7-9(19(14,17)18)3-4-11(10)15-8-12(16)5-1-2-6-12/h3-4,7,15-16H,1-2,5-6,8,13H2,(H2,14,17,18)
InChIKeyDGIZKNWMWGCRPQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.63
Rot. Bonds4

About 3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide

3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide (PubChem CID 65103324) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
PubChem CID65103324
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)ccc1NCC1(O)CCCC1
InChIInChI=1S/C12H19N3O3S/c13-10-7-9(19(14,17)18)3-4-11(10)15-8-12(16)5-1-2-6-12/h3-4,7,15-16H,1-2,5-6,8,13H2,(H2,14,17,18)
InChIKeyDGIZKNWMWGCRPQ-UHFFFAOYSA-N
XLogP0.63
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol
CID 68870224
3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 65110927
3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide
CID 65108096
3-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]benzenesulfonamide
CID 107163046
3-amino-4-[(1-hydroxycycloheptyl)methylamino]benzonitrile
CID 65122900
1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine
CID 63821107
2-amino-4-[(1-hydroxycycloheptyl)methylamino]benzenesulfonamide
CID 79466711
1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol
CID 65102596
3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide
CID 63821852
3-amino-4-[(1-ethylcyclobutyl)amino]benzenesulfonamide
CID 113488592
3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65103398
4-amino-3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123279

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide?
The IUPAC name of 3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide (CID 65103324) is 3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide?
The canonical SMILES for 3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide is Nc1cc(S(N)(=O)=O)ccc1NCC1(O)CCCC1.
What is the InChIKey of 3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide?
The InChIKey is DGIZKNWMWGCRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c13-10-7-9(19(14,17)18)3-4-11(10)15-8-12(16)5-1-2-6-12/h3-4,7,15-16H,1-2,5-6,8,13H2,(H2,14,17,18).
What are the key properties of 3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide?
3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.63, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 65103324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).