1-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C19H21ClN2O3S — CID 20853143

IUPAC1-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCc3ccc(Cl)cc3)cc2CC1C
InChIInChI=1S/C19H21ClN2O3S/c1-13-11-16-12-18(7-8-19(16)22(13)14(2)23)26(24,25)21-10-9-15-3-5-17(20)6-4-15/h3-8,12-13,21H,9-11H2,1-2H3
InChIKeyLRNHJQXEZVVEFP-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.16
Rot. Bonds5

About 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 20853143) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID20853143
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name1-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCc3ccc(Cl)cc3)cc2CC1C
InChIInChI=1S/C19H21ClN2O3S/c1-13-11-16-12-18(7-8-19(16)22(13)14(2)23)26(24,25)21-10-9-15-3-5-17(20)6-4-15/h3-8,12-13,21H,9-11H2,1-2H3
InChIKeyLRNHJQXEZVVEFP-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 20853143) is 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)NCCc3ccc(Cl)cc3)cc2CC1C.
What is the InChIKey of 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is LRNHJQXEZVVEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-13-11-16-12-18(7-8-19(16)22(13)14(2)23)26(24,25)21-10-9-15-3-5-17(20)6-4-15/h3-8,12-13,21H,9-11H2,1-2H3.
What are the key properties of 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 392.91 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 20853143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).