3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;(1S,2R,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide

C112H71Cl7F12N12O18S3 — CID 162032828

About 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;(1S,2R,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide

3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;(1S,2R,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 162032828) has the molecular formula C112H71Cl7F12N12O18S3 and a molecular weight of 2445.21 g/mol. Its IUPAC name is 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;(1S,2R,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;(1S,2R,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide
• PubChem CID: 162032828
• Molecular Formula: C112H71Cl7F12N12O18S3
• Molecular Weight: 2445.21 g/mol
• Exact Mass: 2440.18
• IUPAC Name: 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;(1S,2R,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide
• SMILES: Cc1ccsc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)[C@@H]1C[C@H]2C=C[C@@H]1C2.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)[C@H]1C[C@H]2C=C[C@@H]1C2.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1cccs1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1sc2ccccc2c1Cl
• InChI: InChI=1S/C21H10Cl2F2N2O3S.2C20H15ClF2N2O3.C18H11ClF2N2O3S.C17H9ClF2N2O3S.C16H11ClF2N2O3/c22-13-8-15-14(29-21(24,25)30-15)7-12(13)10-5-6-17(26-9-10)27-20(28)19-18(23)11-3-1-2-4-16(11)31-19;2*21-15-8-17-16(27-20(22,23)28-17)7-13(15)12-3-4-18(24-9-12)25-19(26)14-6-10-1-2-11(14)5-10;1-9-4-5-27-16(9)17(24)23-15-3-2-10(8-22-15)11-6-13-14(7-12(11)19)26-18(20,21)25-13;18-11-7-13-12(24-17(19,20)25-13)6-10(11)9-3-4-15(21-8-9)22-16(23)14-2-1-5-26-14;17-11-6-13-12(23-16(18,19)24-13)5-10(11)9-3-4-14(20-7-9)21-15(22)8-1-2-8/h1-9H,(H,26,27,28);2*1-4,7-11,14H,5-6H2,(H,24,25,26);2-8H,1H3,(H,22,23,24);1-8H,(H,21,22,23);3-8H,1-2H2,(H,20,21,22)/t;10-,11+,14+;10-,11+,14-;;;/m.00.../s1
• InChIKey: YWGGOUJLYNODQR-VORQQUFXSA-N
• XLogP: 31.05
• TPSA: 362.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2445.21
LogP ≤ 5	31.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;(1S,2R,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide?

The IUPAC name of 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;(1S,2R,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide (CID 162032828) is 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;(1S,2R,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide.

What is the SMILES notation for 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;(1S,2R,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide?

The canonical SMILES for 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;(1S,2R,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)[C@@H]1C[C@H]2C=C[C@@H]1C2.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)[C@H]1C[C@H]2C=C[C@@H]1C2.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1cccs1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1sc2ccccc2c1Cl.

What is the InChIKey of 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;(1S,2R,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide?

The InChIKey is YWGGOUJLYNODQR-VORQQUFXSA-N. The full InChI is InChI=1S/C21H10Cl2F2N2O3S.2C20H15ClF2N2O3.C18H11ClF2N2O3S.C17H9ClF2N2O3S.C16H11ClF2N2O3/c22-13-8-15-14(29-21(24,25)30-15)7-12(13)10-5-6-17(26-9-10)27-20(28)19-18(23)11-3-1-2-4-16(11)31-19;2*21-15-8-17-16(27-20(22,23)28-17)7-13(15)12-3-4-18(24-9-12)25-19(26)14-6-10-1-2-11(14)5-10;1-9-4-5-27-16(9)17(24)23-15-3-2-10(8-22-15)11-6-13-14(7-12(11)19)26-18(20,21)25-13;18-11-7-13-12(24-17(19,20)25-13)6-10(11)9-3-4-15(21-8-9)22-16(23)14-2-1-5-26-14;17-11-6-13-12(23-16(18,19)24-13)5-10(11)9-3-4-14(20-7-9)21-15(22)8-1-2-8/h1-9H,(H,26,27,28);2*1-4,7-11,14H,5-6H2,(H,24,25,26);2-8H,1H3,(H,22,23,24);1-8H,(H,21,22,23);3-8H,1-2H2,(H,20,21,22)/t;10-,11+,14+;10-,11+,14-;;;/m.00.../s1.

What are the key properties of 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;(1S,2R,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide?

3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;(1S,2R,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 2445.21 g/mol, XLogP of 31.05, 18 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;(1S,2R,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 162032828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).