4-[5-chloro-3-(4-chlorophenyl)-1H-indol-2-yl]benzenesulfonamide

C20H14Cl2N2O2S — CID 22285760

IUPAC4-[5-chloro-3-(4-chlorophenyl)-1H-indol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH]c3ccc(Cl)cc3c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H14Cl2N2O2S/c21-14-5-1-12(2-6-14)19-17-11-15(22)7-10-18(17)24-20(19)13-3-8-16(9-4-13)27(23,25)26/h1-11,24H,(H2,23,25,26)
InChIKeyFELJSCWNPQUGGM-UHFFFAOYSA-N
MW417.32 g/mol
LogP5.46
Rot. Bonds3

About 4-[5-chloro-3-(4-chlorophenyl)-1H-indol-2-yl]benzenesulfonamide

4-[5-chloro-3-(4-chlorophenyl)-1H-indol-2-yl]benzenesulfonamide (PubChem CID 22285760) has the molecular formula C20H14Cl2N2O2S and a molecular weight of 417.32 g/mol. Its IUPAC name is 4-[5-chloro-3-(4-chlorophenyl)-1H-indol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-chloro-3-(4-chlorophenyl)-1H-indol-2-yl]benzenesulfonamide
PubChem CID22285760
Molecular FormulaC20H14Cl2N2O2S
Molecular Weight417.32 g/mol
Exact Mass416.02
IUPAC Name4-[5-chloro-3-(4-chlorophenyl)-1H-indol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH]c3ccc(Cl)cc3c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H14Cl2N2O2S/c21-14-5-1-12(2-6-14)19-17-11-15(22)7-10-18(17)24-20(19)13-3-8-16(9-4-13)27(23,25)26/h1-11,24H,(H2,23,25,26)
InChIKeyFELJSCWNPQUGGM-UHFFFAOYSA-N
XLogP5.46
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.32
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-3-(4-chlorophenyl)-1H-indol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-chloro-3-(4-chlorophenyl)-1H-indol-2-yl]benzenesulfonamide (CID 22285760) is 4-[5-chloro-3-(4-chlorophenyl)-1H-indol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-chloro-3-(4-chlorophenyl)-1H-indol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-chloro-3-(4-chlorophenyl)-1H-indol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2[nH]c3ccc(Cl)cc3c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[5-chloro-3-(4-chlorophenyl)-1H-indol-2-yl]benzenesulfonamide?
The InChIKey is FELJSCWNPQUGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O2S/c21-14-5-1-12(2-6-14)19-17-11-15(22)7-10-18(17)24-20(19)13-3-8-16(9-4-13)27(23,25)26/h1-11,24H,(H2,23,25,26).
What are the key properties of 4-[5-chloro-3-(4-chlorophenyl)-1H-indol-2-yl]benzenesulfonamide?
4-[5-chloro-3-(4-chlorophenyl)-1H-indol-2-yl]benzenesulfonamide has a molecular weight of 417.32 g/mol, XLogP of 5.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-3-(4-chlorophenyl)-1H-indol-2-yl]benzenesulfonamide is sourced from PubChem (CID 22285760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).