N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,6-difluorobenzamide

C17H16F2N4O3S — CID 24744426

IUPACN-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,6-difluorobenzamide
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(NC(=O)c3c(F)cccc3F)cc21
InChIInChI=1S/C17H16F2N4O3S/c1-9(2)27(25,26)23-14-8-10(6-7-13(14)22-17(23)20)21-16(24)15-11(18)4-3-5-12(15)19/h3-9H,1-2H3,(H2,20,22)(H,21,24)
InChIKeyVPKVXQOXLJUIQS-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.74
Rot. Bonds4

About N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,6-difluorobenzamide

N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,6-difluorobenzamide (PubChem CID 24744426) has the molecular formula C17H16F2N4O3S and a molecular weight of 394.40 g/mol. Its IUPAC name is N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,6-difluorobenzamide
PubChem CID24744426
Molecular FormulaC17H16F2N4O3S
Molecular Weight394.40 g/mol
Exact Mass394.09
IUPAC NameN-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,6-difluorobenzamide
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(NC(=O)c3c(F)cccc3F)cc21
InChIInChI=1S/C17H16F2N4O3S/c1-9(2)27(25,26)23-14-8-10(6-7-13(14)22-17(23)20)21-16(24)15-11(18)4-3-5-12(15)19/h3-9H,1-2H3,(H2,20,22)(H,21,24)
InChIKeyVPKVXQOXLJUIQS-UHFFFAOYSA-N
XLogP2.74
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.74
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)-2,6-difluorobenzamide?
The IUPAC name of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,6-difluorobenzamide (CID 24744426) is N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,6-difluorobenzamide is CC(C)S(=O)(=O)n1c(N)nc2ccc(NC(=O)c3c(F)cccc3F)cc21.
What is the InChIKey of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,6-difluorobenzamide?
The InChIKey is VPKVXQOXLJUIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O3S/c1-9(2)27(25,26)23-14-8-10(6-7-13(14)22-17(23)20)21-16(24)15-11(18)4-3-5-12(15)19/h3-9H,1-2H3,(H2,20,22)(H,21,24).
What are the key properties of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,6-difluorobenzamide?
N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,6-difluorobenzamide has a molecular weight of 394.40 g/mol, XLogP of 2.74, 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)-2,6-difluorobenzamide is sourced from PubChem (CID 24744426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).