4-[3-(4-bromophenyl)-1H-indol-2-yl]benzenesulfonamide

C20H15BrN2O2S — CID 10365186

IUPAC4-[3-(4-bromophenyl)-1H-indol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H15BrN2O2S/c21-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)23-20(19)14-7-11-16(12-8-14)26(22,24)25/h1-12,23H,(H2,22,24,25)
InChIKeyOZKGCBBELCSUAA-UHFFFAOYSA-N
MW427.32 g/mol
LogP4.91
Rot. Bonds3

About 4-[3-(4-bromophenyl)-1H-indol-2-yl]benzenesulfonamide

4-[3-(4-bromophenyl)-1H-indol-2-yl]benzenesulfonamide (PubChem CID 10365186) has the molecular formula C20H15BrN2O2S and a molecular weight of 427.32 g/mol. Its IUPAC name is 4-[3-(4-bromophenyl)-1H-indol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-bromophenyl)-1H-indol-2-yl]benzenesulfonamide
PubChem CID10365186
Molecular FormulaC20H15BrN2O2S
Molecular Weight427.32 g/mol
Exact Mass426.00
IUPAC Name4-[3-(4-bromophenyl)-1H-indol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H15BrN2O2S/c21-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)23-20(19)14-7-11-16(12-8-14)26(22,24)25/h1-12,23H,(H2,22,24,25)
InChIKeyOZKGCBBELCSUAA-UHFFFAOYSA-N
XLogP4.91
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromophenyl)-1H-indol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-bromophenyl)-1H-indol-2-yl]benzenesulfonamide (CID 10365186) is 4-[3-(4-bromophenyl)-1H-indol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-bromophenyl)-1H-indol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-bromophenyl)-1H-indol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[3-(4-bromophenyl)-1H-indol-2-yl]benzenesulfonamide?
The InChIKey is OZKGCBBELCSUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O2S/c21-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)23-20(19)14-7-11-16(12-8-14)26(22,24)25/h1-12,23H,(H2,22,24,25).
What are the key properties of 4-[3-(4-bromophenyl)-1H-indol-2-yl]benzenesulfonamide?
4-[3-(4-bromophenyl)-1H-indol-2-yl]benzenesulfonamide has a molecular weight of 427.32 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromophenyl)-1H-indol-2-yl]benzenesulfonamide is sourced from PubChem (CID 10365186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).