N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide

C17H18FN3O3S — CID 113092280

IUPACN-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2c(=O)[nH]c3cc(F)ccc32)cc1C
InChIInChI=1S/C17H18FN3O3S/c1-11-3-5-14(9-12(11)2)25(23,24)19-7-8-21-16-6-4-13(18)10-15(16)20-17(21)22/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)
InChIKeyFPISUNXAONEEQY-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.06
Rot. Bonds5

About N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide

N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 113092280) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide
PubChem CID113092280
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC NameN-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2c(=O)[nH]c3cc(F)ccc32)cc1C
InChIInChI=1S/C17H18FN3O3S/c1-11-3-5-14(9-12(11)2)25(23,24)19-7-8-21-16-6-4-13(18)10-15(16)20-17(21)22/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)
InChIKeyFPISUNXAONEEQY-UHFFFAOYSA-N
XLogP2.06
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113092314
N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide
CID 113092178
3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 110396338
3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide
CID 110400828
N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 53063234
4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline
CID 113092163
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3-methylbutanamide
CID 113092201
3-[4-(dimethylamino)butyl]-6-fluoro-1H-benzimidazol-2-one
CID 110491197
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 113092247
2,4-dimethyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide
CID 110400804
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethylbenzenesulfonamide
CID 42389477

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide (CID 113092280) is N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCn2c(=O)[nH]c3cc(F)ccc32)cc1C.
What is the InChIKey of N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is FPISUNXAONEEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-11-3-5-14(9-12(11)2)25(23,24)19-7-8-21-16-6-4-13(18)10-15(16)20-17(21)22/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 363.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113092280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).