4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-fluorophenyl)benzamide

C23H20ClFN2O4S — CID 55916648

IUPAC4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)cc1F
InChIInChI=1S/C23H20ClFN2O4S/c1-2-31-21-10-8-17(14-19(21)25)26-23(28)16-7-9-18(24)22(13-16)32(29,30)27-12-11-15-5-3-4-6-20(15)27/h3-10,13-14H,2,11-12H2,1H3,(H,26,28)
InChIKeyIMRVNYFZVRQOMB-UHFFFAOYSA-N
MW474.94 g/mol
LogP4.88
Rot. Bonds6

About 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-fluorophenyl)benzamide

4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-fluorophenyl)benzamide (PubChem CID 55916648) has the molecular formula C23H20ClFN2O4S and a molecular weight of 474.94 g/mol. Its IUPAC name is 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
PubChem CID55916648
Molecular FormulaC23H20ClFN2O4S
Molecular Weight474.94 g/mol
Exact Mass474.08
IUPAC Name4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)cc1F
InChIInChI=1S/C23H20ClFN2O4S/c1-2-31-21-10-8-17(14-19(21)25)26-23(28)16-7-9-18(24)22(13-16)32(29,30)27-12-11-15-5-3-4-6-20(15)27/h3-10,13-14H,2,11-12H2,1H3,(H,26,28)
InChIKeyIMRVNYFZVRQOMB-UHFFFAOYSA-N
XLogP4.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.94
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-(diethylamino)phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 4591412
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propoxyphenyl)benzamide
CID 26898070
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methyl-3-nitrophenyl)benzamide
CID 26575248
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide
CID 17320225
N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 38202745
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 36517163
propyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 24530655
4-chloro-N-(3,4-diethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 42090593
methyl 1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]cyclopentane-1-carboxylate
CID 55571417
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 55335884
[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2605213
[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 2083506

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-fluorophenyl)benzamide?
The IUPAC name of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-fluorophenyl)benzamide (CID 55916648) is 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-fluorophenyl)benzamide.
What is the SMILES notation for 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-fluorophenyl)benzamide?
The canonical SMILES for 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-fluorophenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)cc1F.
What is the InChIKey of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-fluorophenyl)benzamide?
The InChIKey is IMRVNYFZVRQOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O4S/c1-2-31-21-10-8-17(14-19(21)25)26-23(28)16-7-9-18(24)22(13-16)32(29,30)27-12-11-15-5-3-4-6-20(15)27/h3-10,13-14H,2,11-12H2,1H3,(H,26,28).
What are the key properties of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-fluorophenyl)benzamide?
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-fluorophenyl)benzamide has a molecular weight of 474.94 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-fluorophenyl)benzamide is sourced from PubChem (CID 55916648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).