N-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide

C163H127Cl9N36O18S9 — CID 157328833

IUPACN-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide
SMILESCc1cccc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)n1.Cc1cccc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)n1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ccccn3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ccccn3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cccnc3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cccnn3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cnccn3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3=CCC=C3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3CCCCC3)[nH]c2c1
InChIInChI=1S/2C19H15ClN4O2S.C19H20ClN3O2S.3C18H13ClN4O2S.C18H14ClN3O2S.2C17H12ClN5O2S/c2*1-12-5-4-8-17(21-12)19-22-16-10-9-13(11-18(16)23-19)27(25,26)24-15-7-3-2-6-14(15)20;20-15-8-4-5-9-16(15)23-26(24,25)14-10-11-17-18(12-14)22-19(21-17)13-6-2-1-3-7-13;19-14-5-1-2-6-15(14)23-26(24,25)13-7-8-16-17(10-13)22-18(21-16)12-4-3-9-20-11-12;2*19-13-5-1-2-6-14(13)23-26(24,25)12-8-9-15-17(11-12)22-18(21-15)16-7-3-4-10-20-16;19-14-7-3-4-8-15(14)22-25(23,24)13-9-10-16-17(11-13)21-18(20-16)12-5-1-2-6-12;18-12-4-1-2-5-13(12)23-26(24,25)11-7-8-14-16(10-11)21-17(20-14)15-6-3-9-19-22-15;18-12-3-1-2-4-13(12)23-26(24,25)11-5-6-14-15(9-11)22-17(21-14)16-10-19-7-8-20-16/h2*2-11,24H,1H3,(H,22,23);4-5,8-13,23H,1-3,6-7H2,(H,21,22);3*1-11,23H,(H,21,22);1,3-11,22H,2H2,(H,20,21);1-10,23H,(H,20,21);1-10,23H,(H,21,22)
InChIKeyBFAUJSZDWNQROD-UHFFFAOYSA-N
MW3485.72 g/mol
LogP37.39
Rot. Bonds36

About N-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide

N-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide (PubChem CID 157328833) has the molecular formula C163H127Cl9N36O18S9 and a molecular weight of 3485.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide
PubChem CID157328833
Molecular FormulaC163H127Cl9N36O18S9
Molecular Weight3485.72 g/mol
Exact Mass3478.48
IUPAC NameN-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide
SMILESCc1cccc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)n1.Cc1cccc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)n1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ccccn3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ccccn3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cccnc3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cccnn3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cnccn3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3=CCC=C3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3CCCCC3)[nH]c2c1
InChIInChI=1S/2C19H15ClN4O2S.C19H20ClN3O2S.3C18H13ClN4O2S.C18H14ClN3O2S.2C17H12ClN5O2S/c2*1-12-5-4-8-17(21-12)19-22-16-10-9-13(11-18(16)23-19)27(25,26)24-15-7-3-2-6-14(15)20;20-15-8-4-5-9-16(15)23-26(24,25)14-10-11-17-18(12-14)22-19(21-17)13-6-2-1-3-7-13;19-14-5-1-2-6-15(14)23-26(24,25)13-7-8-16-17(10-13)22-18(21-16)12-4-3-9-20-11-12;2*19-13-5-1-2-6-14(13)23-26(24,25)12-8-9-15-17(11-12)22-18(21-15)16-7-3-4-10-20-16;19-14-7-3-4-8-15(14)22-25(23,24)13-9-10-16-17(11-13)21-18(20-16)12-5-1-2-6-12;18-12-4-1-2-5-13(12)23-26(24,25)11-7-8-14-16(10-11)21-17(20-14)15-6-3-9-19-22-15;18-12-3-1-2-4-13(12)23-26(24,25)11-5-6-14-15(9-11)22-17(21-14)16-10-19-7-8-20-16/h2*2-11,24H,1H3,(H,22,23);4-5,8-13,23H,1-3,6-7H2,(H,21,22);3*1-11,23H,(H,21,22);1,3-11,22H,2H2,(H,20,21);1-10,23H,(H,20,21);1-10,23H,(H,21,22)
InChIKeyBFAUJSZDWNQROD-UHFFFAOYSA-N
XLogP37.39
TPSA789.66 Ų
H-Bond Donors18
H-Bond Acceptors36
Rotatable Bonds36
Heavy Atoms235
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003485.72
LogP ≤ 537.39
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1036

Analyze N-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide (CID 157328833) is N-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide is Cc1cccc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)n1.Cc1cccc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)n1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ccccn3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ccccn3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cccnc3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cccnn3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cnccn3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3=CCC=C3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3CCCCC3)[nH]c2c1.
What is the InChIKey of N-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide?
The InChIKey is BFAUJSZDWNQROD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H15ClN4O2S.C19H20ClN3O2S.3C18H13ClN4O2S.C18H14ClN3O2S.2C17H12ClN5O2S/c2*1-12-5-4-8-17(21-12)19-22-16-10-9-13(11-18(16)23-19)27(25,26)24-15-7-3-2-6-14(15)20;20-15-8-4-5-9-16(15)23-26(24,25)14-10-11-17-18(12-14)22-19(21-17)13-6-2-1-3-7-13;19-14-5-1-2-6-15(14)23-26(24,25)13-7-8-16-17(10-13)22-18(21-16)12-4-3-9-20-11-12;2*19-13-5-1-2-6-14(13)23-26(24,25)12-8-9-15-17(11-12)22-18(21-15)16-7-3-4-10-20-16;19-14-7-3-4-8-15(14)22-25(23,24)13-9-10-16-17(11-13)21-18(20-16)12-5-1-2-6-12;18-12-4-1-2-5-13(12)23-26(24,25)11-7-8-14-16(10-11)21-17(20-14)15-6-3-9-19-22-15;18-12-3-1-2-4-13(12)23-26(24,25)11-5-6-14-15(9-11)22-17(21-14)16-10-19-7-8-20-16/h2*2-11,24H,1H3,(H,22,23);4-5,8-13,23H,1-3,6-7H2,(H,21,22);3*1-11,23H,(H,21,22);1,3-11,22H,2H2,(H,20,21);1-10,23H,(H,20,21);1-10,23H,(H,21,22).
What are the key properties of N-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide?
N-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide has a molecular weight of 3485.72 g/mol, XLogP of 37.39, 36 rotatable bonds, 18 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 157328833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).