2-[(Z)-1-chloro-2-(2-fluorophenyl)ethenyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide

C17H15ClFN3O2S — CID 18150483

IUPAC2-[(Z)-1-chloro-2-(2-fluorophenyl)ethenyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2nc(/C(Cl)=C/c3ccccc3F)[nH]c2c1
InChIInChI=1S/C17H15ClFN3O2S/c1-22(2)25(23,24)12-7-8-15-16(10-12)21-17(20-15)13(18)9-11-5-3-4-6-14(11)19/h3-10H,1-2H3,(H,20,21)/b13-9-
InChIKeyAQHVCTKPNSXBES-LCYFTJDESA-N
MW379.84 g/mol
LogP3.69
Rot. Bonds4

About 2-[(Z)-1-chloro-2-(2-fluorophenyl)ethenyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide

2-[(Z)-1-chloro-2-(2-fluorophenyl)ethenyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide (PubChem CID 18150483) has the molecular formula C17H15ClFN3O2S and a molecular weight of 379.84 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(2-fluorophenyl)ethenyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(2-fluorophenyl)ethenyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
PubChem CID18150483
Molecular FormulaC17H15ClFN3O2S
Molecular Weight379.84 g/mol
Exact Mass379.06
IUPAC Name2-[(Z)-1-chloro-2-(2-fluorophenyl)ethenyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2nc(/C(Cl)=C/c3ccccc3F)[nH]c2c1
InChIInChI=1S/C17H15ClFN3O2S/c1-22(2)25(23,24)12-7-8-15-16(10-12)21-17(20-15)13(18)9-11-5-3-4-6-14(11)19/h3-10H,1-2H3,(H,20,21)/b13-9-
InChIKeyAQHVCTKPNSXBES-LCYFTJDESA-N
XLogP3.69
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-fluorophenyl)cyclohexa-1,3-dien-1-yl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 70962446
2-[(Z)-1-chloro-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N,N-diethyl-3H-benzimidazole-5-sulfonamide
CID 55544479
2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 45259137
2-[1-chloro-2-(4-methylsulfanylphenyl)ethenyl]-N-(2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide
CID 4008566
4-[3-(2-fluorophenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 4041053
N,N-dimethyl-2-thiophen-3-yl-3H-benzimidazole-5-sulfonamide
CID 47052816
N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 68763718
N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 2583610
2-[(Z)-1-chloro-2-[2-(difluoromethoxy)phenyl]ethenyl]-1H-benzimidazole
CID 6088566
2,3-dichloro-N,N-dimethylquinoxaline-6-sulfonamide
CID 24845953
N-(1H-benzimidazol-2-yl)-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 9110024
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 4825744

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-(2-fluorophenyl)ethenyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of 2-[(Z)-1-chloro-2-(2-fluorophenyl)ethenyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide (CID 18150483) is 2-[(Z)-1-chloro-2-(2-fluorophenyl)ethenyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(2-fluorophenyl)ethenyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for 2-[(Z)-1-chloro-2-(2-fluorophenyl)ethenyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2nc(/C(Cl)=C/c3ccccc3F)[nH]c2c1.
What is the InChIKey of 2-[(Z)-1-chloro-2-(2-fluorophenyl)ethenyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is AQHVCTKPNSXBES-LCYFTJDESA-N. The full InChI is InChI=1S/C17H15ClFN3O2S/c1-22(2)25(23,24)12-7-8-15-16(10-12)21-17(20-15)13(18)9-11-5-3-4-6-14(11)19/h3-10H,1-2H3,(H,20,21)/b13-9-.
What are the key properties of 2-[(Z)-1-chloro-2-(2-fluorophenyl)ethenyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide?
2-[(Z)-1-chloro-2-(2-fluorophenyl)ethenyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 379.84 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-(2-fluorophenyl)ethenyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 18150483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).