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

C26H26Cl2N4O3S — CID 143931035

IUPACN-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-methyl-2,3-dihydroindole-1-carboxamide
SMILESCN(C(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)c1ccc(Cl)cc1
InChIInChI=1S/C26H26Cl2N4O3S/c1-29(22-7-5-20(27)6-8-22)26(33)32-12-11-19-17-24(9-10-25(19)32)36(34,35)31-15-13-30(14-16-31)23-4-2-3-21(28)18-23/h2-10,17-18H,11-16H2,1H3
InChIKeyQAJGWATUWMOTPB-UHFFFAOYSA-N
MW545.49 g/mol
LogP5.12
Rot. Bonds4

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

N-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 143931035) has the molecular formula C26H26Cl2N4O3S and a molecular weight of 545.49 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID143931035
Molecular FormulaC26H26Cl2N4O3S
Molecular Weight545.49 g/mol
Exact Mass544.11
IUPAC NameN-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-methyl-2,3-dihydroindole-1-carboxamide
SMILESCN(C(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)c1ccc(Cl)cc1
InChIInChI=1S/C26H26Cl2N4O3S/c1-29(22-7-5-20(27)6-8-22)26(33)32-12-11-19-17-24(9-10-25(19)32)36(34,35)31-15-13-30(14-16-31)23-4-2-3-21(28)18-23/h2-10,17-18H,11-16H2,1H3
InChIKeyQAJGWATUWMOTPB-UHFFFAOYSA-N
XLogP5.12
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.49
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(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-2,3-dihydroindole-1-carboxamide
CID 44624249
4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 44599035
[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 44624183
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-[2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2,2-dimethyl-1,3-dioxolan-4-one
CID 67343821
5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53058977
(4-chlorophenyl)-[6-(4-phenylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 17248057
1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 35764669
N-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide
CID 53058919
1-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one
CID 53105658

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-methyl-2,3-dihydroindole-1-carboxamide (CID 143931035) is N-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-methyl-2,3-dihydroindole-1-carboxamide is CN(C(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is QAJGWATUWMOTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O3S/c1-29(22-7-5-20(27)6-8-22)26(33)32-12-11-19-17-24(9-10-25(19)32)36(34,35)31-15-13-30(14-16-31)23-4-2-3-21(28)18-23/h2-10,17-18H,11-16H2,1H3.
What are the key properties of N-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-methyl-2,3-dihydroindole-1-carboxamide?
N-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 545.49 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 143931035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).