2-[2-chloro-3-[2-chloro-3-[[2-(2,6-difluorophenyl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-6-fluorophenyl]-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide

C38H22Cl3F3N6O4S2 — CID 123592317

IUPAC2-[2-chloro-3-[2-chloro-3-[[2-(2,6-difluorophenyl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-6-fluorophenyl]-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3c(F)ccc(-c4cccc(NS(=O)(=O)c5ccc6nc(-c7c(F)cccc7F)[nH]c6c5)c4Cl)c3Cl)[nH]c2c1
InChIInChI=1S/C38H22Cl3F3N6O4S2/c39-23-6-1-2-9-27(23)49-55(51,52)19-11-16-29-32(17-19)48-38(46-29)34-26(44)14-13-22(36(34)41)21-5-3-10-30(35(21)40)50-56(53,54)20-12-15-28-31(18-20)47-37(45-28)33-24(42)7-4-8-25(33)43/h1-18,49-50H,(H,45,47)(H,46,48)
InChIKeyBRGUZECZCBHNBK-UHFFFAOYSA-N
MW854.12 g/mol
LogP10.42
Rot. Bonds9

About 2-[2-chloro-3-[2-chloro-3-[[2-(2,6-difluorophenyl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-6-fluorophenyl]-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide

2-[2-chloro-3-[2-chloro-3-[[2-(2,6-difluorophenyl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-6-fluorophenyl]-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide (PubChem CID 123592317) has the molecular formula C38H22Cl3F3N6O4S2 and a molecular weight of 854.12 g/mol. Its IUPAC name is 2-[2-chloro-3-[2-chloro-3-[[2-(2,6-difluorophenyl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-6-fluorophenyl]-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-[2-chloro-3-[2-chloro-3-[[2-(2,6-difluorophenyl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-6-fluorophenyl]-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide
PubChem CID123592317
Molecular FormulaC38H22Cl3F3N6O4S2
Molecular Weight854.12 g/mol
Exact Mass852.02
IUPAC Name2-[2-chloro-3-[2-chloro-3-[[2-(2,6-difluorophenyl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-6-fluorophenyl]-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3c(F)ccc(-c4cccc(NS(=O)(=O)c5ccc6nc(-c7c(F)cccc7F)[nH]c6c5)c4Cl)c3Cl)[nH]c2c1
InChIInChI=1S/C38H22Cl3F3N6O4S2/c39-23-6-1-2-9-27(23)49-55(51,52)19-11-16-29-32(17-19)48-38(46-29)34-26(44)14-13-22(36(34)41)21-5-3-10-30(35(21)40)50-56(53,54)20-12-15-28-31(18-20)47-37(45-28)33-24(42)7-4-8-25(33)43/h1-18,49-50H,(H,45,47)(H,46,48)
InChIKeyBRGUZECZCBHNBK-UHFFFAOYSA-N
XLogP10.42
TPSA149.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.12
LogP ≤ 510.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[2-chloro-3-[2-chloro-3-[[2-(2,6-difluorophenyl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-6-fluorophenyl]-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide with MolForge

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Related Compounds

6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine;methanesulfonic acid
CID 17981596
CID 44456334
CID 44456334
N-(2-Chloro-4-fluorophenyl)-2-phenyl-1H-1,3-benzodiazole-5-sulfonamide
CID 22430122
N-(3-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 156601384
N-[(2-Chlorophenyl)methyl]-2-phenyl-1H-1,3-benzodiazole-5-sulfonamide
CID 4662105
N-(2-Chlorophenyl)-2-phenyl-1H-1,3-benzodiazole-5-sulfonamide
CID 6621527
6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 10098903
6-[2-(2-chloro-6-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 10346232
N-(2-chlorophenyl)-2-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide
CID 50925151
2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide
CID 50925152
N-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-sulfonamide
CID 50925307
N-(2-chlorophenyl)-2-(2,6-difluorophenyl)-3H-benzimidazole-5-sulfonamide
CID 50925308

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-[2-chloro-3-[[2-(2,6-difluorophenyl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-6-fluorophenyl]-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of 2-[2-chloro-3-[2-chloro-3-[[2-(2,6-difluorophenyl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-6-fluorophenyl]-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide (CID 123592317) is 2-[2-chloro-3-[2-chloro-3-[[2-(2,6-difluorophenyl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-6-fluorophenyl]-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 2-[2-chloro-3-[2-chloro-3-[[2-(2,6-difluorophenyl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-6-fluorophenyl]-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for 2-[2-chloro-3-[2-chloro-3-[[2-(2,6-difluorophenyl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-6-fluorophenyl]-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide is O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3c(F)ccc(-c4cccc(NS(=O)(=O)c5ccc6nc(-c7c(F)cccc7F)[nH]c6c5)c4Cl)c3Cl)[nH]c2c1.
What is the InChIKey of 2-[2-chloro-3-[2-chloro-3-[[2-(2,6-difluorophenyl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-6-fluorophenyl]-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is BRGUZECZCBHNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22Cl3F3N6O4S2/c39-23-6-1-2-9-27(23)49-55(51,52)19-11-16-29-32(17-19)48-38(46-29)34-26(44)14-13-22(36(34)41)21-5-3-10-30(35(21)40)50-56(53,54)20-12-15-28-31(18-20)47-37(45-28)33-24(42)7-4-8-25(33)43/h1-18,49-50H,(H,45,47)(H,46,48).
What are the key properties of 2-[2-chloro-3-[2-chloro-3-[[2-(2,6-difluorophenyl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-6-fluorophenyl]-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide?
2-[2-chloro-3-[2-chloro-3-[[2-(2,6-difluorophenyl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-6-fluorophenyl]-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 854.12 g/mol, XLogP of 10.42, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-[2-chloro-3-[[2-(2,6-difluorophenyl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-6-fluorophenyl]-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 123592317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).