4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

C19H17ClN4O3S2 — CID 2536397

IUPAC4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)s1
InChIInChI=1S/C19H17ClN4O3S2/c1-2-17-22-23-19(28-17)21-18(25)13-7-8-14(20)16(11-13)29(26,27)24-10-9-12-5-3-4-6-15(12)24/h3-8,11H,2,9-10H2,1H3,(H,21,23,25)
InChIKeyRIXIQBVYVSLIRF-UHFFFAOYSA-N
MW448.96 g/mol
LogP3.76
Rot. Bonds5

About 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2536397) has the molecular formula C19H17ClN4O3S2 and a molecular weight of 448.96 g/mol. Its IUPAC name is 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2536397
Molecular FormulaC19H17ClN4O3S2
Molecular Weight448.96 g/mol
Exact Mass448.04
IUPAC Name4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)s1
InChIInChI=1S/C19H17ClN4O3S2/c1-2-17-22-23-19(28-17)21-18(25)13-7-8-14(20)16(11-13)29(26,27)24-10-9-12-5-3-4-6-15(12)24/h3-8,11H,2,9-10H2,1H3,(H,21,23,25)
InChIKeyRIXIQBVYVSLIRF-UHFFFAOYSA-N
XLogP3.76
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.96
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 4014636
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2094245
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 2161611
2-Chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-phenylpiperazine-1-sulfonyl)benzamide
CID 2398837
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2441045
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 2998296
3-Chloro-N-[5-(2,3-dihydro-1H-indole-1-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017424
3-(2,3-dihydro-1H-indol-1-ylsulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1235837
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2334532
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2999392
2-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 3936958
2-Chloro-N-[5-(2,3-dihydro-1H-indole-1-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017404

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CID 2536397) is 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is CCc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)s1.
What is the InChIKey of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is RIXIQBVYVSLIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3S2/c1-2-17-22-23-19(28-17)21-18(25)13-7-8-14(20)16(11-13)29(26,27)24-10-9-12-5-3-4-6-15(12)24/h3-8,11H,2,9-10H2,1H3,(H,21,23,25).
What are the key properties of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 448.96 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2536397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).