1-(benzenesulfonyl)indol-3-amine

C14H12N2O2S — CID 142808384

IUPAC1-(benzenesulfonyl)indol-3-amine
SMILESNc1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C14H12N2O2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H,15H2
InChIKeyQJMNKAGCPFSKMO-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.46
Rot. Bonds2

About 1-(benzenesulfonyl)indol-3-amine

1-(benzenesulfonyl)indol-3-amine (PubChem CID 142808384) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-(benzenesulfonyl)indol-3-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)indol-3-amine
PubChem CID142808384
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name1-(benzenesulfonyl)indol-3-amine
SMILESNc1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C14H12N2O2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H,15H2
InChIKeyQJMNKAGCPFSKMO-UHFFFAOYSA-N
XLogP2.46
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)indol-3-amine?
The IUPAC name of 1-(benzenesulfonyl)indol-3-amine (CID 142808384) is 1-(benzenesulfonyl)indol-3-amine.
What is the SMILES notation for 1-(benzenesulfonyl)indol-3-amine?
The canonical SMILES for 1-(benzenesulfonyl)indol-3-amine is Nc1cn(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(benzenesulfonyl)indol-3-amine?
The InChIKey is QJMNKAGCPFSKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H,15H2.
What are the key properties of 1-(benzenesulfonyl)indol-3-amine?
1-(benzenesulfonyl)indol-3-amine has a molecular weight of 272.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)indol-3-amine is sourced from PubChem (CID 142808384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).