4-amino-3-(2-butoxyethylamino)benzenesulfonamide

C12H21N3O3S — CID 82908082

IUPAC4-amino-3-(2-butoxyethylamino)benzenesulfonamide
SMILESCCCCOCCNc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C12H21N3O3S/c1-2-3-7-18-8-6-15-12-9-10(19(14,16)17)4-5-11(12)13/h4-5,9,15H,2-3,6-8,13H2,1H3,(H2,14,16,17)
InChIKeyMGENXPDQILLIDQ-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.14
Rot. Bonds8

About 4-amino-3-(2-butoxyethylamino)benzenesulfonamide

4-amino-3-(2-butoxyethylamino)benzenesulfonamide (PubChem CID 82908082) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-amino-3-(2-butoxyethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-butoxyethylamino)benzenesulfonamide
PubChem CID82908082
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name4-amino-3-(2-butoxyethylamino)benzenesulfonamide
SMILESCCCCOCCNc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C12H21N3O3S/c1-2-3-7-18-8-6-15-12-9-10(19(14,16)17)4-5-11(12)13/h4-5,9,15H,2-3,6-8,13H2,1H3,(H2,14,16,17)
InChIKeyMGENXPDQILLIDQ-UHFFFAOYSA-N
XLogP1.14
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.14
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

3-amino-4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591103
2-(2-butoxyethylamino)benzenesulfonamide
CID 61169915
4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 82942122
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 82898095
4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide
CID 82898306
4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide
CID 82907605
4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 82899707
4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide
CID 107843856
4-amino-3-(octan-4-ylamino)benzenesulfonamide
CID 106022408
3-amino-4-[2-(2,2,2-trifluoroethoxy)ethylamino]benzenesulfonamide
CID 63827628
4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide
CID 60965986
4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide
CID 82899819

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-butoxyethylamino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(2-butoxyethylamino)benzenesulfonamide (CID 82908082) is 4-amino-3-(2-butoxyethylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-butoxyethylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-butoxyethylamino)benzenesulfonamide is CCCCOCCNc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-(2-butoxyethylamino)benzenesulfonamide?
The InChIKey is MGENXPDQILLIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-2-3-7-18-8-6-15-12-9-10(19(14,16)17)4-5-11(12)13/h4-5,9,15H,2-3,6-8,13H2,1H3,(H2,14,16,17).
What are the key properties of 4-amino-3-(2-butoxyethylamino)benzenesulfonamide?
4-amino-3-(2-butoxyethylamino)benzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-butoxyethylamino)benzenesulfonamide is sourced from PubChem (CID 82908082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).