1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide

C22H29N3O5S2 — CID 24580955

IUPAC1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1
InChIInChI=1S/C22H29N3O5S2/c1-6-24(7-2)32(29,30)20-12-15(3)16(4)21(14-20)23-31(27,28)19-8-9-22-18(13-19)10-11-25(22)17(5)26/h8-9,12-14,23H,6-7,10-11H2,1-5H3
InChIKeyKTVKNCNOUHLFRU-UHFFFAOYSA-N
MW479.62 g/mol
LogP3.04
Rot. Bonds7

About 1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 24580955) has the molecular formula C22H29N3O5S2 and a molecular weight of 479.62 g/mol. Its IUPAC name is 1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID24580955
Molecular FormulaC22H29N3O5S2
Molecular Weight479.62 g/mol
Exact Mass479.15
IUPAC Name1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1
InChIInChI=1S/C22H29N3O5S2/c1-6-24(7-2)32(29,30)20-12-15(3)16(4)21(14-20)23-31(27,28)19-8-9-22-18(13-19)10-11-25(22)17(5)26/h8-9,12-14,23H,6-7,10-11H2,1-5H3
InChIKeyKTVKNCNOUHLFRU-UHFFFAOYSA-N
XLogP3.04
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

N-[5-[[5-(diethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 24580932
5-(diethylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059052
5-[(2,3-dimethylphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058910
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-N-(2,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 7401545
1-acetyl-N-(2,5-dichlorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 3164268
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 26488025
N,N-diethyl-1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 46636160
1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide
CID 113029784
N,N-diethyl-3,4-dimethyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 24580934
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 27832661

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide (CID 24580955) is 1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1.
What is the InChIKey of 1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is KTVKNCNOUHLFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S2/c1-6-24(7-2)32(29,30)20-12-15(3)16(4)21(14-20)23-31(27,28)19-8-9-22-18(13-19)10-11-25(22)17(5)26/h8-9,12-14,23H,6-7,10-11H2,1-5H3.
What are the key properties of 1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 479.62 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 24580955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).