4-amino-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide

C14H11Cl2N3O2S — CID 12043151

IUPAC4-amino-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C14H11Cl2N3O2S/c15-10-5-6-12(14-13(10)11(16)7-18-14)19-22(20,21)9-3-1-8(17)2-4-9/h1-7,18-19H,17H2
InChIKeyZMWBQFUTRRAQPO-UHFFFAOYSA-N
MW356.23 g/mol
LogP3.86
Rot. Bonds3

About 4-amino-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide

4-amino-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide (PubChem CID 12043151) has the molecular formula C14H11Cl2N3O2S and a molecular weight of 356.23 g/mol. Its IUPAC name is 4-amino-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
PubChem CID12043151
Molecular FormulaC14H11Cl2N3O2S
Molecular Weight356.23 g/mol
Exact Mass354.99
IUPAC Name4-amino-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C14H11Cl2N3O2S/c15-10-5-6-12(14-13(10)11(16)7-18-14)19-22(20,21)9-3-1-8(17)2-4-9/h1-7,18-19H,17H2
InChIKeyZMWBQFUTRRAQPO-UHFFFAOYSA-N
XLogP3.86
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 53.86
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-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide (CID 12043151) is 4-amino-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1.
What is the InChIKey of 4-amino-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide?
The InChIKey is ZMWBQFUTRRAQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2S/c15-10-5-6-12(14-13(10)11(16)7-18-14)19-22(20,21)9-3-1-8(17)2-4-9/h1-7,18-19H,17H2.
What are the key properties of 4-amino-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide?
4-amino-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide has a molecular weight of 356.23 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide is sourced from PubChem (CID 12043151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).