1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide

C19H15Cl2N3O3S2 — CID 59432922

IUPAC1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(Cc1c(Cl)cccc1Cl)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C19H15Cl2N3O3S2/c20-15-2-1-3-16(21)14(15)11-18(25)24-8-6-12-10-13(4-5-17(12)24)29(26,27)23-19-22-7-9-28-19/h1-5,7,9-10H,6,8,11H2,(H,22,23)
InChIKeyBBFJAXCGPPNRAD-UHFFFAOYSA-N
MW468.39 g/mol
LogP4.38
Rot. Bonds5

About 1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide

1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 59432922) has the molecular formula C19H15Cl2N3O3S2 and a molecular weight of 468.39 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
PubChem CID59432922
Molecular FormulaC19H15Cl2N3O3S2
Molecular Weight468.39 g/mol
Exact Mass466.99
IUPAC Name1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(Cc1c(Cl)cccc1Cl)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C19H15Cl2N3O3S2/c20-15-2-1-3-16(21)14(15)11-18(25)24-8-6-12-10-13(4-5-17(12)24)29(26,27)23-19-22-7-9-28-19/h1-5,7,9-10H,6,8,11H2,(H,22,23)
InChIKeyBBFJAXCGPPNRAD-UHFFFAOYSA-N
XLogP4.38
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen
CID 159369435
1-[2-(2-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 162085927
N-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethyl)anilino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 15950984
1-[3-(5-methylindol-1-yl)propanoyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 59432892
(4-methylphenyl) 5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydroindole-1-carboxylate
CID 59432951
1-[2-(3-fluoro-4-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen
CID 159785532
4-(5-chloro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87487866
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256
2-(2,6-dichlorophenyl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
CID 18102372
4-[(3S)-3-(5,6-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466398
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 5322974
1-[3-(2,6-dichlorophenyl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 100602895

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide (CID 59432922) is 1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide is O=C(Cc1c(Cl)cccc1Cl)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21.
What is the InChIKey of 1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is BBFJAXCGPPNRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3S2/c20-15-2-1-3-16(21)14(15)11-18(25)24-8-6-12-10-13(4-5-17(12)24)29(26,27)23-19-22-7-9-28-19/h1-5,7,9-10H,6,8,11H2,(H,22,23).
What are the key properties of 1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 468.39 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 59432922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).