2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide

C12H15N3O3S — CID 79466885

IUPAC2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide
SMILESCC(Nc1ccc(S(N)(=O)=O)c(N)c1)c1ccco1
InChIInChI=1S/C12H15N3O3S/c1-8(11-3-2-6-18-11)15-9-4-5-12(10(13)7-9)19(14,16)17/h2-8,15H,13H2,1H3,(H2,14,16,17)
InChIKeyNUVFJKJWENXYPB-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.68
Rot. Bonds4

About 2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide

2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide (PubChem CID 79466885) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide
PubChem CID79466885
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide
SMILESCC(Nc1ccc(S(N)(=O)=O)c(N)c1)c1ccco1
InChIInChI=1S/C12H15N3O3S/c1-8(11-3-2-6-18-11)15-9-4-5-12(10(13)7-9)19(14,16)17/h2-8,15H,13H2,1H3,(H2,14,16,17)
InChIKeyNUVFJKJWENXYPB-UHFFFAOYSA-N
XLogP1.68
TPSA111.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.68
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

5-amino-3-[1-(furan-2-yl)ethylamino]-2-methylbenzenesulfonamide
CID 79895953
2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid
CID 60989949
2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide
CID 79467494
2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide
CID 79466950
3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine
CID 43535637
ethyl 2-(3-amino-4-sulfamoylanilino)propanoate
CID 79466894
2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 79466776
4-bromo-N-[1-(furan-2-yl)ethyl]-3-nitroaniline
CID 79767523
2-amino-4-(1,3-dihydroxypropan-2-ylamino)benzenesulfonamide
CID 79467002
5-N-[1-(furan-2-yl)ethyl]pyridine-2,5-diamine
CID 43535641
N-[1-(furan-2-yl)ethyl]-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 43676321
2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 43535590

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide (CID 79466885) is 2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide is CC(Nc1ccc(S(N)(=O)=O)c(N)c1)c1ccco1.
What is the InChIKey of 2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide?
The InChIKey is NUVFJKJWENXYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-8(11-3-2-6-18-11)15-9-4-5-12(10(13)7-9)19(14,16)17/h2-8,15H,13H2,1H3,(H2,14,16,17).
What are the key properties of 2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide?
2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 79466885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).