N-(2-fluorophenyl)-2-[6-[2-fluoro-3-[(2-thiophen-3-yl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]pyrazin-2-yl]-3H-benzimidazole-5-sulfonamide

C34H22F2N8O4S3 — CID 123389283

IUPACN-(2-fluorophenyl)-2-[6-[2-fluoro-3-[(2-thiophen-3-yl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]pyrazin-2-yl]-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1ccc2nc(-c3cncc(-c4cccc(NS(=O)(=O)c5ccc6nc(-c7ccsc7)[nH]c6c5)c4F)n3)[nH]c2c1
InChIInChI=1S/C34H22F2N8O4S3/c35-23-5-1-2-6-24(23)43-50(45,46)20-9-11-26-29(15-20)42-34(40-26)31-17-37-16-30(38-31)22-4-3-7-27(32(22)36)44-51(47,48)21-8-10-25-28(14-21)41-33(39-25)19-12-13-49-18-19/h1-18,43-44H,(H,39,41)(H,40,42)
InChIKeyIZSBDTFJRSESIM-UHFFFAOYSA-N
MW740.80 g/mol
LogP7.17
Rot. Bonds9

About N-(2-fluorophenyl)-2-[6-[2-fluoro-3-[(2-thiophen-3-yl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]pyrazin-2-yl]-3H-benzimidazole-5-sulfonamide

N-(2-fluorophenyl)-2-[6-[2-fluoro-3-[(2-thiophen-3-yl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]pyrazin-2-yl]-3H-benzimidazole-5-sulfonamide (PubChem CID 123389283) has the molecular formula C34H22F2N8O4S3 and a molecular weight of 740.80 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[6-[2-fluoro-3-[(2-thiophen-3-yl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]pyrazin-2-yl]-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[6-[2-fluoro-3-[(2-thiophen-3-yl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]pyrazin-2-yl]-3H-benzimidazole-5-sulfonamide
PubChem CID123389283
Molecular FormulaC34H22F2N8O4S3
Molecular Weight740.80 g/mol
Exact Mass740.09
IUPAC NameN-(2-fluorophenyl)-2-[6-[2-fluoro-3-[(2-thiophen-3-yl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]pyrazin-2-yl]-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1ccc2nc(-c3cncc(-c4cccc(NS(=O)(=O)c5ccc6nc(-c7ccsc7)[nH]c6c5)c4F)n3)[nH]c2c1
InChIInChI=1S/C34H22F2N8O4S3/c35-23-5-1-2-6-24(23)43-50(45,46)20-9-11-26-29(15-20)42-34(40-26)31-17-37-16-30(38-31)22-4-3-7-27(32(22)36)44-51(47,48)21-8-10-25-28(14-21)41-33(39-25)19-12-13-49-18-19/h1-18,43-44H,(H,39,41)(H,40,42)
InChIKeyIZSBDTFJRSESIM-UHFFFAOYSA-N
XLogP7.17
TPSA175.48 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.80
LogP ≤ 57.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-(2-fluorophenyl)-2-[6-[2-fluoro-3-[(2-thiophen-3-yl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]pyrazin-2-yl]-3H-benzimidazole-5-sulfonamide with MolForge

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Related Compounds

N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-2-sulfonamide
CID 57344794
6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole
CID 70697155
6-ethylsulfonyl-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole
CID 70684603
2-(6-(2-fluorophenyl)pyridin-3-yl)-6-(methylsulfonyl)-1H-benzo[d]imidazole
CID 44465737
2-[5-(2-Fluorophenyl)pyridin-2-yl]-6-(methylsulfonyl)-1H-benzimidazole
CID 44465738
6-ethylsulfonyl-2-(5-phenyl-3-pyridinyl)-1H-benzimidazole
CID 70682529
N-(3-(3-(9H-purin-6-yl)pyridin-2-ylamino)-2,4-difluorophenyl)thiophene-3-sulfonamide
CID 57345094
5-[7-(1-benzothiophen-3-ylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2-fluoroaniline
CID 171674033
3-[7-(1-benzothiophen-3-ylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-4-fluoroaniline
CID 171674036
2-[2-amino-5-(4-fluorophenyl)pyridin-3-yl]-1H-benzimidazole-6-sulfonamide
CID 10249370
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-N-methyl-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide
CID 22408330
3-[[4-[3-(1H-benzimidazol-2-ylmethyl)anilino]-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 23648765

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[6-[2-fluoro-3-[(2-thiophen-3-yl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]pyrazin-2-yl]-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(2-fluorophenyl)-2-[6-[2-fluoro-3-[(2-thiophen-3-yl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]pyrazin-2-yl]-3H-benzimidazole-5-sulfonamide (CID 123389283) is N-(2-fluorophenyl)-2-[6-[2-fluoro-3-[(2-thiophen-3-yl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]pyrazin-2-yl]-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[6-[2-fluoro-3-[(2-thiophen-3-yl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]pyrazin-2-yl]-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[6-[2-fluoro-3-[(2-thiophen-3-yl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]pyrazin-2-yl]-3H-benzimidazole-5-sulfonamide is O=S(=O)(Nc1ccccc1F)c1ccc2nc(-c3cncc(-c4cccc(NS(=O)(=O)c5ccc6nc(-c7ccsc7)[nH]c6c5)c4F)n3)[nH]c2c1.
What is the InChIKey of N-(2-fluorophenyl)-2-[6-[2-fluoro-3-[(2-thiophen-3-yl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]pyrazin-2-yl]-3H-benzimidazole-5-sulfonamide?
The InChIKey is IZSBDTFJRSESIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22F2N8O4S3/c35-23-5-1-2-6-24(23)43-50(45,46)20-9-11-26-29(15-20)42-34(40-26)31-17-37-16-30(38-31)22-4-3-7-27(32(22)36)44-51(47,48)21-8-10-25-28(14-21)41-33(39-25)19-12-13-49-18-19/h1-18,43-44H,(H,39,41)(H,40,42).
What are the key properties of N-(2-fluorophenyl)-2-[6-[2-fluoro-3-[(2-thiophen-3-yl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]pyrazin-2-yl]-3H-benzimidazole-5-sulfonamide?
N-(2-fluorophenyl)-2-[6-[2-fluoro-3-[(2-thiophen-3-yl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]pyrazin-2-yl]-3H-benzimidazole-5-sulfonamide has a molecular weight of 740.80 g/mol, XLogP of 7.17, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[6-[2-fluoro-3-[(2-thiophen-3-yl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]pyrazin-2-yl]-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 123389283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).