N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide

C18H18F2N4O3S — CID 100940849

IUPACN-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(N(C)C(=O)c3cccc(F)c3F)cc21
InChIInChI=1S/C18H18F2N4O3S/c1-10(2)28(26,27)24-15-9-11(7-8-14(15)22-18(24)21)23(3)17(25)12-5-4-6-13(19)16(12)20/h4-10H,1-3H3,(H2,21,22)
InChIKeyORYHWBFCFBEZAC-UHFFFAOYSA-N
MW408.43 g/mol
LogP2.76
Rot. Bonds4

About N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide

N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide (PubChem CID 100940849) has the molecular formula C18H18F2N4O3S and a molecular weight of 408.43 g/mol. Its IUPAC name is N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide
PubChem CID100940849
Molecular FormulaC18H18F2N4O3S
Molecular Weight408.43 g/mol
Exact Mass408.11
IUPAC NameN-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(N(C)C(=O)c3cccc(F)c3F)cc21
InChIInChI=1S/C18H18F2N4O3S/c1-10(2)28(26,27)24-15-9-11(7-8-14(15)22-18(24)21)23(3)17(25)12-5-4-6-13(19)16(12)20/h4-10H,1-3H3,(H2,21,22)
InChIKeyORYHWBFCFBEZAC-UHFFFAOYSA-N
XLogP2.76
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
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)-2,3-difluoro-N-methylbenzamide?
The IUPAC name of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide (CID 100940849) is N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide?
The canonical SMILES for N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide is CC(C)S(=O)(=O)n1c(N)nc2ccc(N(C)C(=O)c3cccc(F)c3F)cc21.
What is the InChIKey of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide?
The InChIKey is ORYHWBFCFBEZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3S/c1-10(2)28(26,27)24-15-9-11(7-8-14(15)22-18(24)21)23(3)17(25)12-5-4-6-13(19)16(12)20/h4-10H,1-3H3,(H2,21,22).
What are the key properties of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide?
N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide has a molecular weight of 408.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 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)-2,3-difluoro-N-methylbenzamide is sourced from PubChem (CID 100940849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).