5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-propyl-2,3-dihydroindole-1-carboxamide

C22H27ClN4O3S — CID 53058977

IUPAC5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-propyl-2,3-dihydroindole-1-carboxamide
SMILESCCCNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc21
InChIInChI=1S/C22H27ClN4O3S/c1-2-10-24-22(28)27-11-9-17-16-20(7-8-21(17)27)31(29,30)26-14-12-25(13-15-26)19-5-3-18(23)4-6-19/h3-8,16H,2,9-15H2,1H3,(H,24,28)
InChIKeySNYNBXICVBWGJF-UHFFFAOYSA-N
MW463.00 g/mol
LogP3.33
Rot. Bonds5

About 5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-propyl-2,3-dihydroindole-1-carboxamide

5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-propyl-2,3-dihydroindole-1-carboxamide (PubChem CID 53058977) has the molecular formula C22H27ClN4O3S and a molecular weight of 463.00 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-propyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-propyl-2,3-dihydroindole-1-carboxamide
PubChem CID53058977
Molecular FormulaC22H27ClN4O3S
Molecular Weight463.00 g/mol
Exact Mass462.15
IUPAC Name5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-propyl-2,3-dihydroindole-1-carboxamide
SMILESCCCNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc21
InChIInChI=1S/C22H27ClN4O3S/c1-2-10-24-22(28)27-11-9-17-16-20(7-8-21(17)27)31(29,30)26-14-12-25(13-15-26)19-5-3-18(23)4-6-19/h3-8,16H,2,9-15H2,1H3,(H,24,28)
InChIKeySNYNBXICVBWGJF-UHFFFAOYSA-N
XLogP3.33
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.00
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide
CID 44624249
N-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide
CID 53058919
N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
CID 53058948
5-(diethylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059052
(4-chlorophenyl)-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 44624666
N-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-methyl-2,3-dihydroindole-1-carboxamide
CID 143931035
5-[(4-methylphenyl)sulfamoyl]-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059050
(4-chlorophenyl)-[6-(4-phenylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 17248057
ethyl 4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-4-oxobutanoate
CID 58078399
3-[[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]amino]benzoic acid
CID 44624667
5-[(4-acetylphenyl)sulfamoyl]-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53058961
4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 44599035

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-propyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-propyl-2,3-dihydroindole-1-carboxamide (CID 53058977) is 5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-propyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-propyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-propyl-2,3-dihydroindole-1-carboxamide is CCCNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc21.
What is the InChIKey of 5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-propyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is SNYNBXICVBWGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O3S/c1-2-10-24-22(28)27-11-9-17-16-20(7-8-21(17)27)31(29,30)26-14-12-25(13-15-26)19-5-3-18(23)4-6-19/h3-8,16H,2,9-15H2,1H3,(H,24,28).
What are the key properties of 5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-propyl-2,3-dihydroindole-1-carboxamide?
5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-propyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 463.00 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-propyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 53058977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).