2-amino-3-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonamide

C11H15N5O2S — CID 112674960

IUPAC2-amino-3-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonamide
SMILESNc1c(NCCc2cnc[nH]2)cccc1S(N)(=O)=O
InChIInChI=1S/C11H15N5O2S/c12-11-9(2-1-3-10(11)19(13,17)18)15-5-4-8-6-14-7-16-8/h1-3,6-7,15H,4-5,12H2,(H,14,16)(H2,13,17,18)
InChIKeyGFPRRPHCLVUMOT-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.29
Rot. Bonds5

About 2-amino-3-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonamide

2-amino-3-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonamide (PubChem CID 112674960) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-amino-3-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonamide
PubChem CID112674960
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name2-amino-3-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonamide
SMILESNc1c(NCCc2cnc[nH]2)cccc1S(N)(=O)=O
InChIInChI=1S/C11H15N5O2S/c12-11-9(2-1-3-10(11)19(13,17)18)15-5-4-8-6-14-7-16-8/h1-3,6-7,15H,4-5,12H2,(H,14,16)(H2,13,17,18)
InChIKeyGFPRRPHCLVUMOT-UHFFFAOYSA-N
XLogP0.29
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.29
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

3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitroaniline
CID 104835994
2-amino-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 112674920
3-N-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-disulfonamide
CID 65231464
2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide
CID 112674921
2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231081
2-amino-3-[2-(1-methylimidazol-2-yl)ethylamino]benzenesulfonamide
CID 115992604
1-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 65231042
2-amino-3-(3-methoxypropylamino)benzenesulfonamide
CID 112674652
4-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonic acid
CID 22146865
2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65230688
N-[2-(1H-imidazol-5-yl)ethyl]-3-nitropyridin-4-amine
CID 65232136
N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide
CID 4619893

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 2-amino-3-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonamide (CID 112674960) is 2-amino-3-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonamide is Nc1c(NCCc2cnc[nH]2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-3-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonamide?
The InChIKey is GFPRRPHCLVUMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c12-11-9(2-1-3-10(11)19(13,17)18)15-5-4-8-6-14-7-16-8/h1-3,6-7,15H,4-5,12H2,(H,14,16)(H2,13,17,18).
What are the key properties of 2-amino-3-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonamide?
2-amino-3-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 112674960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).