methyl N-[6-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]-1H-benzimidazol-2-yl]carbamate

C17H15F3N4O4S — CID 70685601

IUPACmethyl N-[6-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(S(=O)(=O)NCc3ccc(C(F)(F)F)cc3)cc2[nH]1
InChIInChI=1S/C17H15F3N4O4S/c1-28-16(25)24-15-22-13-7-6-12(8-14(13)23-15)29(26,27)21-9-10-2-4-11(5-3-10)17(18,19)20/h2-8,21H,9H2,1H3,(H2,22,23,24,25)
InChIKeyZFMWBGHZHAJRHT-UHFFFAOYSA-N
MW428.39 g/mol
LogP3.24
Rot. Bonds5

About methyl N-[6-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]-1H-benzimidazol-2-yl]carbamate

methyl N-[6-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]-1H-benzimidazol-2-yl]carbamate (PubChem CID 70685601) has the molecular formula C17H15F3N4O4S and a molecular weight of 428.39 g/mol. Its IUPAC name is methyl N-[6-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]-1H-benzimidazol-2-yl]carbamate
PubChem CID70685601
Molecular FormulaC17H15F3N4O4S
Molecular Weight428.39 g/mol
Exact Mass428.08
IUPAC Namemethyl N-[6-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(S(=O)(=O)NCc3ccc(C(F)(F)F)cc3)cc2[nH]1
InChIInChI=1S/C17H15F3N4O4S/c1-28-16(25)24-15-22-13-7-6-12(8-14(13)23-15)29(26,27)21-9-10-2-4-11(5-3-10)17(18,19)20/h2-8,21H,9H2,1H3,(H2,22,23,24,25)
InChIKeyZFMWBGHZHAJRHT-UHFFFAOYSA-N
XLogP3.24
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of methyl N-[6-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]-1H-benzimidazol-2-yl]carbamate (CID 70685601) is methyl N-[6-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[6-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[6-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]-1H-benzimidazol-2-yl]carbamate is COC(=O)Nc1nc2ccc(S(=O)(=O)NCc3ccc(C(F)(F)F)cc3)cc2[nH]1.
What is the InChIKey of methyl N-[6-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]-1H-benzimidazol-2-yl]carbamate?
The InChIKey is ZFMWBGHZHAJRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O4S/c1-28-16(25)24-15-22-13-7-6-12(8-14(13)23-15)29(26,27)21-9-10-2-4-11(5-3-10)17(18,19)20/h2-8,21H,9H2,1H3,(H2,22,23,24,25).
What are the key properties of methyl N-[6-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]-1H-benzimidazol-2-yl]carbamate?
methyl N-[6-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]-1H-benzimidazol-2-yl]carbamate has a molecular weight of 428.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 70685601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).