4-amino-N-(1-butylimidazol-2-yl)benzenesulfonamide

C13H18N4O2S — CID 3054840

IUPAC4-amino-N-(1-butylimidazol-2-yl)benzenesulfonamide
SMILESCCCCn1ccnc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H18N4O2S/c1-2-3-9-17-10-8-15-13(17)16-20(18,19)12-6-4-11(14)5-7-12/h4-8,10H,2-3,9,14H2,1H3,(H,15,16)
InChIKeyCALFWSMWPOXSFD-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.07
Rot. Bonds6

About 4-amino-N-(1-butylimidazol-2-yl)benzenesulfonamide

4-amino-N-(1-butylimidazol-2-yl)benzenesulfonamide (PubChem CID 3054840) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-amino-N-(1-butylimidazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-butylimidazol-2-yl)benzenesulfonamide
PubChem CID3054840
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name4-amino-N-(1-butylimidazol-2-yl)benzenesulfonamide
SMILESCCCCn1ccnc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H18N4O2S/c1-2-3-9-17-10-8-15-13(17)16-20(18,19)12-6-4-11(14)5-7-12/h4-8,10H,2-3,9,14H2,1H3,(H,15,16)
InChIKeyCALFWSMWPOXSFD-UHFFFAOYSA-N
XLogP2.07
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-butylimidazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(1-butylimidazol-2-yl)benzenesulfonamide (CID 3054840) is 4-amino-N-(1-butylimidazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-butylimidazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-butylimidazol-2-yl)benzenesulfonamide is CCCCn1ccnc1NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(1-butylimidazol-2-yl)benzenesulfonamide?
The InChIKey is CALFWSMWPOXSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-3-9-17-10-8-15-13(17)16-20(18,19)12-6-4-11(14)5-7-12/h4-8,10H,2-3,9,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(1-butylimidazol-2-yl)benzenesulfonamide?
4-amino-N-(1-butylimidazol-2-yl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-butylimidazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 3054840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).