N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-fluorobenzamide

C17H17FN4O3S — CID 24744425

IUPACN-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-fluorobenzamide
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(NC(=O)c3ccccc3F)cc21
InChIInChI=1S/C17H17FN4O3S/c1-10(2)26(24,25)22-15-9-11(7-8-14(15)21-17(22)19)20-16(23)12-5-3-4-6-13(12)18/h3-10H,1-2H3,(H2,19,21)(H,20,23)
InChIKeyRJAIMJCQMNQHHR-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.60
Rot. Bonds4

About N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-fluorobenzamide

N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-fluorobenzamide (PubChem CID 24744425) has the molecular formula C17H17FN4O3S and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-fluorobenzamide
PubChem CID24744425
Molecular FormulaC17H17FN4O3S
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC NameN-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-fluorobenzamide
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(NC(=O)c3ccccc3F)cc21
InChIInChI=1S/C17H17FN4O3S/c1-10(2)26(24,25)22-15-9-11(7-8-14(15)21-17(22)19)20-16(23)12-5-3-4-6-13(12)18/h3-10H,1-2H3,(H2,19,21)(H,20,23)
InChIKeyRJAIMJCQMNQHHR-UHFFFAOYSA-N
XLogP2.60
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-fluorobenzamide?
The IUPAC name of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-fluorobenzamide (CID 24744425) is N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-fluorobenzamide?
The canonical SMILES for N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-fluorobenzamide is CC(C)S(=O)(=O)n1c(N)nc2ccc(NC(=O)c3ccccc3F)cc21.
What is the InChIKey of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-fluorobenzamide?
The InChIKey is RJAIMJCQMNQHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S/c1-10(2)26(24,25)22-15-9-11(7-8-14(15)21-17(22)19)20-16(23)12-5-3-4-6-13(12)18/h3-10H,1-2H3,(H2,19,21)(H,20,23).
What are the key properties of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-fluorobenzamide?
N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-fluorobenzamide has a molecular weight of 376.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-fluorobenzamide is sourced from PubChem (CID 24744425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).