4-amino-N-(6-bromo-1H-indol-4-yl)benzenesulfonamide

C14H12BrN3O2S — CID 6918531

IUPAC4-amino-N-(6-bromo-1H-indol-4-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cc(Br)cc3[nH]ccc23)cc1
InChIInChI=1S/C14H12BrN3O2S/c15-9-7-13-12(5-6-17-13)14(8-9)18-21(19,20)11-3-1-10(16)2-4-11/h1-8,17-18H,16H2
InChIKeyYHVWNYYEHCSBQK-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.31
Rot. Bonds3

About 4-amino-N-(6-bromo-1H-indol-4-yl)benzenesulfonamide

4-amino-N-(6-bromo-1H-indol-4-yl)benzenesulfonamide (PubChem CID 6918531) has the molecular formula C14H12BrN3O2S and a molecular weight of 366.24 g/mol. Its IUPAC name is 4-amino-N-(6-bromo-1H-indol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(6-bromo-1H-indol-4-yl)benzenesulfonamide
PubChem CID6918531
Molecular FormulaC14H12BrN3O2S
Molecular Weight366.24 g/mol
Exact Mass364.98
IUPAC Name4-amino-N-(6-bromo-1H-indol-4-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cc(Br)cc3[nH]ccc23)cc1
InChIInChI=1S/C14H12BrN3O2S/c15-9-7-13-12(5-6-17-13)14(8-9)18-21(19,20)11-3-1-10(16)2-4-11/h1-8,17-18H,16H2
InChIKeyYHVWNYYEHCSBQK-UHFFFAOYSA-N
XLogP3.31
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.31
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-(6-bromo-1H-indol-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(6-bromo-1H-indol-4-yl)benzenesulfonamide (CID 6918531) is 4-amino-N-(6-bromo-1H-indol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(6-bromo-1H-indol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(6-bromo-1H-indol-4-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2cc(Br)cc3[nH]ccc23)cc1.
What is the InChIKey of 4-amino-N-(6-bromo-1H-indol-4-yl)benzenesulfonamide?
The InChIKey is YHVWNYYEHCSBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2S/c15-9-7-13-12(5-6-17-13)14(8-9)18-21(19,20)11-3-1-10(16)2-4-11/h1-8,17-18H,16H2.
What are the key properties of 4-amino-N-(6-bromo-1H-indol-4-yl)benzenesulfonamide?
4-amino-N-(6-bromo-1H-indol-4-yl)benzenesulfonamide has a molecular weight of 366.24 g/mol, XLogP of 3.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-bromo-1H-indol-4-yl)benzenesulfonamide is sourced from PubChem (CID 6918531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).