2,3-bis[(4-chlorophenyl)methyl]-1H-indole-5-sulfonamide

C22H18Cl2N2O2S — CID 66574340

IUPAC2,3-bis[(4-chlorophenyl)methyl]-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2[nH]c(Cc3ccc(Cl)cc3)c(Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C22H18Cl2N2O2S/c23-16-5-1-14(2-6-16)11-19-20-13-18(29(25,27)28)9-10-21(20)26-22(19)12-15-3-7-17(24)8-4-15/h1-10,13,26H,11-12H2,(H2,25,27,28)
InChIKeyHWYQVWLPCLYZAK-UHFFFAOYSA-N
MW445.37 g/mol
LogP5.30
Rot. Bonds5

About 2,3-bis[(4-chlorophenyl)methyl]-1H-indole-5-sulfonamide

2,3-bis[(4-chlorophenyl)methyl]-1H-indole-5-sulfonamide (PubChem CID 66574340) has the molecular formula C22H18Cl2N2O2S and a molecular weight of 445.37 g/mol. Its IUPAC name is 2,3-bis[(4-chlorophenyl)methyl]-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name2,3-bis[(4-chlorophenyl)methyl]-1H-indole-5-sulfonamide
PubChem CID66574340
Molecular FormulaC22H18Cl2N2O2S
Molecular Weight445.37 g/mol
Exact Mass444.05
IUPAC Name2,3-bis[(4-chlorophenyl)methyl]-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2[nH]c(Cc3ccc(Cl)cc3)c(Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C22H18Cl2N2O2S/c23-16-5-1-14(2-6-16)11-19-20-13-18(29(25,27)28)9-10-21(20)26-22(19)12-15-3-7-17(24)8-4-15/h1-10,13,26H,11-12H2,(H2,25,27,28)
InChIKeyHWYQVWLPCLYZAK-UHFFFAOYSA-N
XLogP5.30
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.37
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(4-chlorophenyl)methyl]-1H-indole-5-sulfonamide?
The IUPAC name of 2,3-bis[(4-chlorophenyl)methyl]-1H-indole-5-sulfonamide (CID 66574340) is 2,3-bis[(4-chlorophenyl)methyl]-1H-indole-5-sulfonamide.
What is the SMILES notation for 2,3-bis[(4-chlorophenyl)methyl]-1H-indole-5-sulfonamide?
The canonical SMILES for 2,3-bis[(4-chlorophenyl)methyl]-1H-indole-5-sulfonamide is NS(=O)(=O)c1ccc2[nH]c(Cc3ccc(Cl)cc3)c(Cc3ccc(Cl)cc3)c2c1.
What is the InChIKey of 2,3-bis[(4-chlorophenyl)methyl]-1H-indole-5-sulfonamide?
The InChIKey is HWYQVWLPCLYZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2S/c23-16-5-1-14(2-6-16)11-19-20-13-18(29(25,27)28)9-10-21(20)26-22(19)12-15-3-7-17(24)8-4-15/h1-10,13,26H,11-12H2,(H2,25,27,28).
What are the key properties of 2,3-bis[(4-chlorophenyl)methyl]-1H-indole-5-sulfonamide?
2,3-bis[(4-chlorophenyl)methyl]-1H-indole-5-sulfonamide has a molecular weight of 445.37 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(4-chlorophenyl)methyl]-1H-indole-5-sulfonamide is sourced from PubChem (CID 66574340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).