4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide

C20H20F2N4O3S — CID 31403750

IUPAC4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C20H20F2N4O3S/c1-25(12-18-23-16-4-2-3-5-17(16)26(18)20(21)22)19(27)13-6-10-15(11-7-13)30(28,29)24-14-8-9-14/h2-7,10-11,14,20,24H,8-9,12H2,1H3
InChIKeyNKQXVXUSVAYBES-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.14
Rot. Bonds7

About 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide

4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide (PubChem CID 31403750) has the molecular formula C20H20F2N4O3S and a molecular weight of 434.47 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide
PubChem CID31403750
Molecular FormulaC20H20F2N4O3S
Molecular Weight434.47 g/mol
Exact Mass434.12
IUPAC Name4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C20H20F2N4O3S/c1-25(12-18-23-16-4-2-3-5-17(16)26(18)20(21)22)19(27)13-6-10-15(11-7-13)30(28,29)24-14-8-9-14/h2-7,10-11,14,20,24H,8-9,12H2,1H3
InChIKeyNKQXVXUSVAYBES-UHFFFAOYSA-N
XLogP3.14
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide (CID 31403750) is 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide is CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide?
The InChIKey is NKQXVXUSVAYBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3S/c1-25(12-18-23-16-4-2-3-5-17(16)26(18)20(21)22)19(27)13-6-10-15(11-7-13)30(28,29)24-14-8-9-14/h2-7,10-11,14,20,24H,8-9,12H2,1H3.
What are the key properties of 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide?
4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide has a molecular weight of 434.47 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 31403750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).