3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine

C14H11ClN2O2S — CID 68657749

IUPAC3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine
SMILESNc1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H11ClN2O2S/c15-9-6-7-12-11(8-9)13(14(16)17-12)20(18,19)10-4-2-1-3-5-10/h1-8,17H,16H2
InChIKeyMILOCJUWRMZWBK-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.24
Rot. Bonds2

About 3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine

3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine (PubChem CID 68657749) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine
PubChem CID68657749
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine
SMILESNc1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H11ClN2O2S/c15-9-6-7-12-11(8-9)13(14(16)17-12)20(18,19)10-4-2-1-3-5-10/h1-8,17H,16H2
InChIKeyMILOCJUWRMZWBK-UHFFFAOYSA-N
XLogP3.24
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine (CID 68657749) is 3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine is Nc1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine?
The InChIKey is MILOCJUWRMZWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c15-9-6-7-12-11(8-9)13(14(16)17-12)20(18,19)10-4-2-1-3-5-10/h1-8,17H,16H2.
What are the key properties of 3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine?
3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine has a molecular weight of 306.77 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine is sourced from PubChem (CID 68657749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).