N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

C22H18ClFN4O4S — CID 34855767

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C22H18ClFN4O4S/c1-28(12-15-16(23)6-4-7-17(15)24)21(29)14-5-2-3-8-18(14)27-33(31,32)13-9-10-19-20(11-13)26-22(30)25-19/h2-11,27H,12H2,1H3,(H2,25,26,30)
InChIKeyKXMMOEZIJGMMGQ-UHFFFAOYSA-N
MW488.93 g/mol
LogP3.72
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (PubChem CID 34855767) has the molecular formula C22H18ClFN4O4S and a molecular weight of 488.93 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
PubChem CID34855767
Molecular FormulaC22H18ClFN4O4S
Molecular Weight488.93 g/mol
Exact Mass488.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C22H18ClFN4O4S/c1-28(12-15-16(23)6-4-7-17(15)24)21(29)14-5-2-3-8-18(14)27-33(31,32)13-9-10-19-20(11-13)26-22(30)25-19/h2-11,27H,12H2,1H3,(H2,25,26,30)
InChIKeyKXMMOEZIJGMMGQ-UHFFFAOYSA-N
XLogP3.72
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.93
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (CID 34855767) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is CN(Cc1c(F)cccc1Cl)C(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The InChIKey is KXMMOEZIJGMMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O4S/c1-28(12-15-16(23)6-4-7-17(15)24)21(29)14-5-2-3-8-18(14)27-33(31,32)13-9-10-19-20(11-13)26-22(30)25-19/h2-11,27H,12H2,1H3,(H2,25,26,30).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 488.93 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 34855767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).