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

C18H20FN3O4S — CID 113092314

IUPACN-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCCn2c(=O)[nH]c3cc(F)ccc32)cc1
InChIInChI=1S/C18H20FN3O4S/c1-12(2)26-14-4-6-15(7-5-14)27(24,25)20-9-10-22-17-8-3-13(19)11-16(17)21-18(22)23/h3-8,11-12,20H,9-10H2,1-2H3,(H,21,23)
InChIKeyRUPWPIICXPJVSN-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.23
Rot. Bonds7

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

N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 113092314) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID113092314
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC NameN-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCCn2c(=O)[nH]c3cc(F)ccc32)cc1
InChIInChI=1S/C18H20FN3O4S/c1-12(2)26-14-4-6-15(7-5-14)27(24,25)20-9-10-22-17-8-3-13(19)11-16(17)21-18(22)23/h3-8,11-12,20H,9-10H2,1-2H3,(H,21,23)
InChIKeyRUPWPIICXPJVSN-UHFFFAOYSA-N
XLogP2.23
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113092280
N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide
CID 113092178
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110665841
4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide
CID 110716379
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 113092247
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110291474
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282
6-amino-3-(4-propan-2-yloxyphenyl)sulfonyl-1H-benzimidazol-2-one
CID 110724203
3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide
CID 110400828
2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
CID 110617588
3-[4-(dimethylamino)butyl]-6-fluoro-1H-benzimidazol-2-one
CID 110491197
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113086277

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide (CID 113092314) is N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)NCCn2c(=O)[nH]c3cc(F)ccc32)cc1.
What is the InChIKey of N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is RUPWPIICXPJVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-12(2)26-14-4-6-15(7-5-14)27(24,25)20-9-10-22-17-8-3-13(19)11-16(17)21-18(22)23/h3-8,11-12,20H,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide?
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 393.44 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 113092314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).