2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide

C17H17FN4O3S — CID 42959453

IUPAC2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1)n1cnc2ccccc21
InChIInChI=1S/C17H17FN4O3S/c1-11(22-10-19-14-5-3-4-6-16(14)22)17(23)20-12-7-8-13(18)15(9-12)21-26(2,24)25/h3-11,21H,1-2H3,(H,20,23)
InChIKeyZGAPKVOKTGJGQQ-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.75
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide

2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide (PubChem CID 42959453) has the molecular formula C17H17FN4O3S and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
PubChem CID42959453
Molecular FormulaC17H17FN4O3S
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC Name2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1)n1cnc2ccccc21
InChIInChI=1S/C17H17FN4O3S/c1-11(22-10-19-14-5-3-4-6-16(14)22)17(23)20-12-7-8-13(18)15(9-12)21-26(2,24)25/h3-11,21H,1-2H3,(H,20,23)
InChIKeyZGAPKVOKTGJGQQ-UHFFFAOYSA-N
XLogP2.75
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide
CID 97249332
2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide
CID 43070770
(2S)-2-(benzimidazol-1-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 39047094
(2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 39036581
2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 43712924
2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 46604605
3-[[2-(benzimidazol-1-yl)propanoylamino]carbamoyl]-N-(4-chlorophenyl)benzenesulfonamide
CID 43070364
(2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 39059697
3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide
CID 42893030
4-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylbutanamide
CID 80542664
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
(2S)-2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-methylpentanamide;hydrochloride
CID 119702982

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide (CID 42959453) is 2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide is CC(C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide?
The InChIKey is ZGAPKVOKTGJGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S/c1-11(22-10-19-14-5-3-4-6-16(14)22)17(23)20-12-7-8-13(18)15(9-12)21-26(2,24)25/h3-11,21H,1-2H3,(H,20,23).
What are the key properties of 2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide?
2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide has a molecular weight of 376.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 42959453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).