1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide

C24H25N3O5S2 — CID 24510126

IUPAC1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)ccc21
InChIInChI=1S/C24H25N3O5S2/c1-18(28)27-15-14-20-16-23(12-13-24(20)27)33(29,30)25-21-8-10-22(11-9-21)34(31,32)26(2)17-19-6-4-3-5-7-19/h3-13,16,25H,14-15,17H2,1-2H3
InChIKeyOVHSELDGLIEHIH-UHFFFAOYSA-N
MW499.61 g/mol
LogP3.22
Rot. Bonds7

About 1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 24510126) has the molecular formula C24H25N3O5S2 and a molecular weight of 499.61 g/mol. Its IUPAC name is 1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID24510126
Molecular FormulaC24H25N3O5S2
Molecular Weight499.61 g/mol
Exact Mass499.12
IUPAC Name1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)ccc21
InChIInChI=1S/C24H25N3O5S2/c1-18(28)27-15-14-20-16-23(12-13-24(20)27)33(29,30)25-21-8-10-22(11-9-21)34(31,32)26(2)17-19-6-4-3-5-7-19/h3-13,16,25H,14-15,17H2,1-2H3
InChIKeyOVHSELDGLIEHIH-UHFFFAOYSA-N
XLogP3.22
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine
CID 158402644
4-[5-[benzyl(methyl)sulfamoyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 6619736
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-benzyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 53025606
1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 24509967
1-acetyl-N-[4-(cyclopropanecarbonyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 110425311
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 40687880
1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide
CID 20851674
1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 39419247
1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 122175082
1-acetyl-N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098326
1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 85457192
1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 52561459

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide (CID 24510126) is 1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)ccc21.
What is the InChIKey of 1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is OVHSELDGLIEHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S2/c1-18(28)27-15-14-20-16-23(12-13-24(20)27)33(29,30)25-21-8-10-22(11-9-21)34(31,32)26(2)17-19-6-4-3-5-7-19/h3-13,16,25H,14-15,17H2,1-2H3.
What are the key properties of 1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 499.61 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 24510126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).