4-chloro-N-[[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[(2-phenylacetyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

C89H91Cl6N13O15S8 — CID 173124026

IUPAC4-chloro-N-[[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[(2-phenylacetyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESO=C(Cc1ccccc1)NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1.O=C(NCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCO3)CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)n3)CC2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C25H26ClN3O4S2.C22H21Cl2N3O3S2.C21H20Cl2N4O3S2.C21H24ClN3O5S2/c26-20-8-6-19(7-9-20)25(31)27-17-22-10-11-24(34-22)35(32,33)29-14-12-21(13-15-29)28-23(30)16-18-4-2-1-3-5-18;23-17-3-1-16(2-4-17)22(28)25-15-20-9-10-21(31-20)32(29,30)27-13-11-26(12-14-27)19-7-5-18(24)6-8-19;22-16-6-4-15(5-7-16)21(28)24-14-17-8-9-20(31-17)32(29,30)27-12-10-26(11-13-27)19-3-1-2-18(23)25-19;22-16-5-3-15(4-6-16)20(26)23-14-17-7-8-19(31-17)32(28,29)25-11-9-24(10-12-25)21(27)18-2-1-13-30-18/h1-11,21H,12-17H2,(H,27,31)(H,28,30);1-10H,11-15H2,(H,25,28);1-9H,10-14H2,(H,24,28);3-8,18H,1-2,9-14H2,(H,23,26)
InChIKeyLTCKKDFFDCYNPY-UHFFFAOYSA-N
MW2052.04 g/mol
LogP14.57
Rot. Bonds26

About 4-chloro-N-[[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[(2-phenylacetyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

4-chloro-N-[[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[(2-phenylacetyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (PubChem CID 173124026) has the molecular formula C89H91Cl6N13O15S8 and a molecular weight of 2052.04 g/mol. Its IUPAC name is 4-chloro-N-[[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[(2-phenylacetyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[(2-phenylacetyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
PubChem CID173124026
Molecular FormulaC89H91Cl6N13O15S8
Molecular Weight2052.04 g/mol
Exact Mass2047.27
IUPAC Name4-chloro-N-[[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[(2-phenylacetyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESO=C(Cc1ccccc1)NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1.O=C(NCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCO3)CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)n3)CC2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C25H26ClN3O4S2.C22H21Cl2N3O3S2.C21H20Cl2N4O3S2.C21H24ClN3O5S2/c26-20-8-6-19(7-9-20)25(31)27-17-22-10-11-24(34-22)35(32,33)29-14-12-21(13-15-29)28-23(30)16-18-4-2-1-3-5-18;23-17-3-1-16(2-4-17)22(28)25-15-20-9-10-21(31-20)32(29,30)27-13-11-26(12-14-27)19-7-5-18(24)6-8-19;22-16-6-4-15(5-7-16)21(28)24-14-17-8-9-20(31-17)32(29,30)27-12-10-26(11-13-27)19-3-1-2-18(23)25-19;22-16-5-3-15(4-6-16)20(26)23-14-17-7-8-19(31-17)32(28,29)25-11-9-24(10-12-25)21(27)18-2-1-13-30-18/h1-11,21H,12-17H2,(H,27,31)(H,28,30);1-10H,11-15H2,(H,25,28);1-9H,10-14H2,(H,24,28);3-8,18H,1-2,9-14H2,(H,23,26)
InChIKeyLTCKKDFFDCYNPY-UHFFFAOYSA-N
XLogP14.57
TPSA343.93 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002052.04
LogP ≤ 514.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-chloro-N-[[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[(2-phenylacetyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 2815642
4-chloro-N-[[5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 68659190
4-chloro-N-[[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 159650638
N-[[5-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
CID 152529035
4-chloro-N-[[5-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 139946128
4-chloro-N-[[5-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 10229722
N-[[5-[4-(1-adamantylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
CID 10281216
4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 87631975
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
N-[[5-[4-[benzyl(hexyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
CID 57443944
4-chloro-N-[[5-[4-[3-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 70221462
4-chloro-N-[[5-[4-(octylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(pentylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 161299912

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[(2-phenylacetyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[(2-phenylacetyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (CID 173124026) is 4-chloro-N-[[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[(2-phenylacetyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[(2-phenylacetyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[(2-phenylacetyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is O=C(Cc1ccccc1)NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1.O=C(NCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCO3)CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)n3)CC2)s1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[(2-phenylacetyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The InChIKey is LTCKKDFFDCYNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4S2.C22H21Cl2N3O3S2.C21H20Cl2N4O3S2.C21H24ClN3O5S2/c26-20-8-6-19(7-9-20)25(31)27-17-22-10-11-24(34-22)35(32,33)29-14-12-21(13-15-29)28-23(30)16-18-4-2-1-3-5-18;23-17-3-1-16(2-4-17)22(28)25-15-20-9-10-21(31-20)32(29,30)27-13-11-26(12-14-27)19-7-5-18(24)6-8-19;22-16-6-4-15(5-7-16)21(28)24-14-17-8-9-20(31-17)32(29,30)27-12-10-26(11-13-27)19-3-1-2-18(23)25-19;22-16-5-3-15(4-6-16)20(26)23-14-17-7-8-19(31-17)32(28,29)25-11-9-24(10-12-25)21(27)18-2-1-13-30-18/h1-11,21H,12-17H2,(H,27,31)(H,28,30);1-10H,11-15H2,(H,25,28);1-9H,10-14H2,(H,24,28);3-8,18H,1-2,9-14H2,(H,23,26).
What are the key properties of 4-chloro-N-[[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[(2-phenylacetyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
4-chloro-N-[[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[(2-phenylacetyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide has a molecular weight of 2052.04 g/mol, XLogP of 14.57, 26 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[(2-phenylacetyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 173124026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).