2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide

C13H21N3O3S — CID 115992752

IUPAC2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide
SMILESNc1c(NCCOC2CCCC2)cccc1S(N)(=O)=O
InChIInChI=1S/C13H21N3O3S/c14-13-11(6-3-7-12(13)20(15,17)18)16-8-9-19-10-4-1-2-5-10/h3,6-7,10,16H,1-2,4-5,8-9,14H2,(H2,15,17,18)
InChIKeyYSMUBOWWOCXEPW-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.29
Rot. Bonds6

About 2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide

2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide (PubChem CID 115992752) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide
PubChem CID115992752
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide
SMILESNc1c(NCCOC2CCCC2)cccc1S(N)(=O)=O
InChIInChI=1S/C13H21N3O3S/c14-13-11(6-3-7-12(13)20(15,17)18)16-8-9-19-10-4-1-2-5-10/h3,6-7,10,16H,1-2,4-5,8-9,14H2,(H2,15,17,18)
InChIKeyYSMUBOWWOCXEPW-UHFFFAOYSA-N
XLogP1.29
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 112674678
2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide
CID 115992729
2-amino-3-(cyclohexylamino)benzenesulfonamide
CID 112674592
N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline
CID 63826664
2-amino-3-(3-methoxypropylamino)benzenesulfonamide
CID 112674652
2-bromo-N-(2-cyclohexyloxyethyl)aniline
CID 55088144
2-amino-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 112674920
3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine
CID 104540407
2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106036483
2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide
CID 115992668
2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide
CID 112674921
2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61059255

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide?
The IUPAC name of 2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide (CID 115992752) is 2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide is Nc1c(NCCOC2CCCC2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide?
The InChIKey is YSMUBOWWOCXEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c14-13-11(6-3-7-12(13)20(15,17)18)16-8-9-19-10-4-1-2-5-10/h3,6-7,10,16H,1-2,4-5,8-9,14H2,(H2,15,17,18).
What are the key properties of 2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide?
2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide is sourced from PubChem (CID 115992752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).