4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide

C10H13N3O2S — CID 729446

IUPAC4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2=NCCC2)cc1
InChIInChI=1S/C10H13N3O2S/c11-8-3-5-9(6-4-8)16(14,15)13-10-2-1-7-12-10/h3-6H,1-2,7,11H2,(H,12,13)
InChIKeyLBAXXVMCDDENJT-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.74
Rot. Bonds2

About 4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide

4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide (PubChem CID 729446) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide
PubChem CID729446
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2=NCCC2)cc1
InChIInChI=1S/C10H13N3O2S/c11-8-3-5-9(6-4-8)16(14,15)13-10-2-1-7-12-10/h3-6H,1-2,7,11H2,(H,12,13)
InChIKeyLBAXXVMCDDENJT-UHFFFAOYSA-N
XLogP0.74
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide (CID 729446) is 4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NC2=NCCC2)cc1.
What is the InChIKey of 4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide?
The InChIKey is LBAXXVMCDDENJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c11-8-3-5-9(6-4-8)16(14,15)13-10-2-1-7-12-10/h3-6H,1-2,7,11H2,(H,12,13).
What are the key properties of 4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide?
4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide has a molecular weight of 239.30 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide is sourced from PubChem (CID 729446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).