N-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

C16H15FN4O3S — CID 27649348

IUPACN-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1nc2ccccc2[nH]1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15FN4O3S/c1-21(25(23,24)12-8-6-11(17)7-9-12)10-15(22)20-16-18-13-4-2-3-5-14(13)19-16/h2-9H,10H2,1H3,(H2,18,19,20,22)
InChIKeyNAHNPXUXHIUCQG-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.96
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

N-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 27649348) has the molecular formula C16H15FN4O3S and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
PubChem CID27649348
Molecular FormulaC16H15FN4O3S
Molecular Weight362.39 g/mol
Exact Mass362.08
IUPAC NameN-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1nc2ccccc2[nH]1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15FN4O3S/c1-21(25(23,24)12-8-6-11(17)7-9-12)10-15(22)20-16-18-13-4-2-3-5-14(13)19-16/h2-9H,10H2,1H3,(H2,18,19,20,22)
InChIKeyNAHNPXUXHIUCQG-UHFFFAOYSA-N
XLogP1.96
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 8850309
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide
CID 18146512
N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27649678
N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide
CID 47377841
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26066021
N-(2-ethoxyphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 2196369
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 9339527
N-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 78799758
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2079990
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 16623274
N-(1H-benzimidazol-2-yl)-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 9110024
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (CID 27649348) is N-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)Nc1nc2ccccc2[nH]1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is NAHNPXUXHIUCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3S/c1-21(25(23,24)12-8-6-11(17)7-9-12)10-15(22)20-16-18-13-4-2-3-5-14(13)19-16/h2-9H,10H2,1H3,(H2,18,19,20,22).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
N-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 362.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 27649348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).