1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-2,3-dihydroindole-6-sulfonamide

C17H16Cl2N2O3S2 — CID 86973571

IUPAC1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(C(=O)CSCc1ccc(Cl)cc1Cl)CC2
InChIInChI=1S/C17H16Cl2N2O3S2/c18-13-3-1-12(15(19)7-13)9-25-10-17(22)21-6-5-11-2-4-14(8-16(11)21)26(20,23)24/h1-4,7-8H,5-6,9-10H2,(H2,20,23,24)
InChIKeyXXKUMNADEJQUHA-UHFFFAOYSA-N
MW431.37 g/mol
LogP3.46
Rot. Bonds5

About 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-2,3-dihydroindole-6-sulfonamide

1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 86973571) has the molecular formula C17H16Cl2N2O3S2 and a molecular weight of 431.37 g/mol. Its IUPAC name is 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID86973571
Molecular FormulaC17H16Cl2N2O3S2
Molecular Weight431.37 g/mol
Exact Mass430.00
IUPAC Name1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(C(=O)CSCc1ccc(Cl)cc1Cl)CC2
InChIInChI=1S/C17H16Cl2N2O3S2/c18-13-3-1-12(15(19)7-13)9-25-10-17(22)21-6-5-11-2-4-14(8-16(11)21)26(20,23)24/h1-4,7-8H,5-6,9-10H2,(H2,20,23,24)
InChIKeyXXKUMNADEJQUHA-UHFFFAOYSA-N
XLogP3.46
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-2,3-dihydroindole-6-sulfonamide (CID 86973571) is 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)N(C(=O)CSCc1ccc(Cl)cc1Cl)CC2.
What is the InChIKey of 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is XXKUMNADEJQUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3S2/c18-13-3-1-12(15(19)7-13)9-25-10-17(22)21-6-5-11-2-4-14(8-16(11)21)26(20,23)24/h1-4,7-8H,5-6,9-10H2,(H2,20,23,24).
What are the key properties of 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-2,3-dihydroindole-6-sulfonamide?
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 431.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 86973571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).