4-amino-N-(1H-indol-4-yl)benzenesulfonamide

C14H13N3O2S — CID 10637020

IUPAC4-amino-N-(1H-indol-4-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C14H13N3O2S/c15-10-4-6-11(7-5-10)20(18,19)17-14-3-1-2-13-12(14)8-9-16-13/h1-9,16-17H,15H2
InChIKeyAZJPSNFOIYDSGP-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.55
Rot. Bonds3

About 4-amino-N-(1H-indol-4-yl)benzenesulfonamide

4-amino-N-(1H-indol-4-yl)benzenesulfonamide (PubChem CID 10637020) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-amino-N-(1H-indol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1H-indol-4-yl)benzenesulfonamide
PubChem CID10637020
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name4-amino-N-(1H-indol-4-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C14H13N3O2S/c15-10-4-6-11(7-5-10)20(18,19)17-14-3-1-2-13-12(14)8-9-16-13/h1-9,16-17H,15H2
InChIKeyAZJPSNFOIYDSGP-UHFFFAOYSA-N
XLogP2.55
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(1H-indol-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(1H-indol-4-yl)benzenesulfonamide (CID 10637020) is 4-amino-N-(1H-indol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1H-indol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(1H-indol-4-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2cccc3[nH]ccc23)cc1.
What is the InChIKey of 4-amino-N-(1H-indol-4-yl)benzenesulfonamide?
The InChIKey is AZJPSNFOIYDSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c15-10-4-6-11(7-5-10)20(18,19)17-14-3-1-2-13-12(14)8-9-16-13/h1-9,16-17H,15H2.
What are the key properties of 4-amino-N-(1H-indol-4-yl)benzenesulfonamide?
4-amino-N-(1H-indol-4-yl)benzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1H-indol-4-yl)benzenesulfonamide is sourced from PubChem (CID 10637020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).