1-acetyl-5-bromo-N-ethyl-2-methyl-N-phenyl-2,3-dihydroindole-7-sulfonamide

C19H21BrN2O3S — CID 15994157

IUPAC1-acetyl-5-bromo-N-ethyl-2-methyl-N-phenyl-2,3-dihydroindole-7-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)C(C)C2
InChIInChI=1S/C19H21BrN2O3S/c1-4-21(17-8-6-5-7-9-17)26(24,25)18-12-16(20)11-15-10-13(2)22(14(3)23)19(15)18/h5-9,11-13H,4,10H2,1-3H3
InChIKeyJARODVPXHJKHAY-UHFFFAOYSA-N
MW437.36 g/mol
LogP3.96
Rot. Bonds4

About 1-acetyl-5-bromo-N-ethyl-2-methyl-N-phenyl-2,3-dihydroindole-7-sulfonamide

1-acetyl-5-bromo-N-ethyl-2-methyl-N-phenyl-2,3-dihydroindole-7-sulfonamide (PubChem CID 15994157) has the molecular formula C19H21BrN2O3S and a molecular weight of 437.36 g/mol. Its IUPAC name is 1-acetyl-5-bromo-N-ethyl-2-methyl-N-phenyl-2,3-dihydroindole-7-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-bromo-N-ethyl-2-methyl-N-phenyl-2,3-dihydroindole-7-sulfonamide
PubChem CID15994157
Molecular FormulaC19H21BrN2O3S
Molecular Weight437.36 g/mol
Exact Mass436.05
IUPAC Name1-acetyl-5-bromo-N-ethyl-2-methyl-N-phenyl-2,3-dihydroindole-7-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)C(C)C2
InChIInChI=1S/C19H21BrN2O3S/c1-4-21(17-8-6-5-7-9-17)26(24,25)18-12-16(20)11-15-10-13(2)22(14(3)23)19(15)18/h5-9,11-13H,4,10H2,1-3H3
InChIKeyJARODVPXHJKHAY-UHFFFAOYSA-N
XLogP3.96
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-N-ethyl-2-methyl-N-phenyl-2,3-dihydroindole-7-sulfonamide?
The IUPAC name of 1-acetyl-5-bromo-N-ethyl-2-methyl-N-phenyl-2,3-dihydroindole-7-sulfonamide (CID 15994157) is 1-acetyl-5-bromo-N-ethyl-2-methyl-N-phenyl-2,3-dihydroindole-7-sulfonamide.
What is the SMILES notation for 1-acetyl-5-bromo-N-ethyl-2-methyl-N-phenyl-2,3-dihydroindole-7-sulfonamide?
The canonical SMILES for 1-acetyl-5-bromo-N-ethyl-2-methyl-N-phenyl-2,3-dihydroindole-7-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)C(C)C2.
What is the InChIKey of 1-acetyl-5-bromo-N-ethyl-2-methyl-N-phenyl-2,3-dihydroindole-7-sulfonamide?
The InChIKey is JARODVPXHJKHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3S/c1-4-21(17-8-6-5-7-9-17)26(24,25)18-12-16(20)11-15-10-13(2)22(14(3)23)19(15)18/h5-9,11-13H,4,10H2,1-3H3.
What are the key properties of 1-acetyl-5-bromo-N-ethyl-2-methyl-N-phenyl-2,3-dihydroindole-7-sulfonamide?
1-acetyl-5-bromo-N-ethyl-2-methyl-N-phenyl-2,3-dihydroindole-7-sulfonamide has a molecular weight of 437.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-bromo-N-ethyl-2-methyl-N-phenyl-2,3-dihydroindole-7-sulfonamide is sourced from PubChem (CID 15994157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).