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

C27H27ClN4O4S — CID 58379255

IUPACN-(2-acetylphenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C27H27ClN4O4S/c1-19(33)24-7-2-3-8-25(24)29-27(34)32-12-11-20-17-23(9-10-26(20)32)37(35,36)31-15-13-30(14-16-31)22-6-4-5-21(28)18-22/h2-10,17-18H,11-16H2,1H3,(H,29,34)
InChIKeyHHGYETONHKMCER-UHFFFAOYSA-N
MW539.06 g/mol
LogP4.65
Rot. Bonds5

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

N-(2-acetylphenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide (PubChem CID 58379255) has the molecular formula C27H27ClN4O4S and a molecular weight of 539.06 g/mol. Its IUPAC name is N-(2-acetylphenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide
PubChem CID58379255
Molecular FormulaC27H27ClN4O4S
Molecular Weight539.06 g/mol
Exact Mass538.14
IUPAC NameN-(2-acetylphenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C27H27ClN4O4S/c1-19(33)24-7-2-3-8-25(24)29-27(34)32-12-11-20-17-23(9-10-26(20)32)37(35,36)31-15-13-30(14-16-31)22-6-4-5-21(28)18-22/h2-10,17-18H,11-16H2,1H3,(H,29,34)
InChIKeyHHGYETONHKMCER-UHFFFAOYSA-N
XLogP4.65
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.06
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(2-acetylphenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide (CID 58379255) is N-(2-acetylphenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide is CC(=O)c1ccccc1NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21.
What is the InChIKey of N-(2-acetylphenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is HHGYETONHKMCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O4S/c1-19(33)24-7-2-3-8-25(24)29-27(34)32-12-11-20-17-23(9-10-26(20)32)37(35,36)31-15-13-30(14-16-31)22-6-4-5-21(28)18-22/h2-10,17-18H,11-16H2,1H3,(H,29,34).
What are the key properties of N-(2-acetylphenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide?
N-(2-acetylphenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 539.06 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 58379255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).