N-[2-(cyclopropylcarbamoyl)phenyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide

C19H20FN3O4S — CID 9107521

IUPACN-[2-(cyclopropylcarbamoyl)phenyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2C(=O)NC2CC2)c1
InChIInChI=1S/C19H20FN3O4S/c1-23(2)28(26,27)13-9-10-16(20)15(11-13)19(25)22-17-6-4-3-5-14(17)18(24)21-12-7-8-12/h3-6,9-12H,7-8H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyQCYNULDTATZUCT-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.22
Rot. Bonds6

About N-[2-(cyclopropylcarbamoyl)phenyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide

N-[2-(cyclopropylcarbamoyl)phenyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide (PubChem CID 9107521) has the molecular formula C19H20FN3O4S and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[2-(cyclopropylcarbamoyl)phenyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylcarbamoyl)phenyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide
PubChem CID9107521
Molecular FormulaC19H20FN3O4S
Molecular Weight405.45 g/mol
Exact Mass405.12
IUPAC NameN-[2-(cyclopropylcarbamoyl)phenyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2C(=O)NC2CC2)c1
InChIInChI=1S/C19H20FN3O4S/c1-23(2)28(26,27)13-9-10-16(20)15(11-13)19(25)22-17-6-4-3-5-14(17)18(24)21-12-7-8-12/h3-6,9-12H,7-8H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyQCYNULDTATZUCT-UHFFFAOYSA-N
XLogP2.22
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylcarbamoyl)phenyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of N-[2-(cyclopropylcarbamoyl)phenyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide (CID 9107521) is N-[2-(cyclopropylcarbamoyl)phenyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for N-[2-(cyclopropylcarbamoyl)phenyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for N-[2-(cyclopropylcarbamoyl)phenyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide is CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2C(=O)NC2CC2)c1.
What is the InChIKey of N-[2-(cyclopropylcarbamoyl)phenyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide?
The InChIKey is QCYNULDTATZUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4S/c1-23(2)28(26,27)13-9-10-16(20)15(11-13)19(25)22-17-6-4-3-5-14(17)18(24)21-12-7-8-12/h3-6,9-12H,7-8H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-(cyclopropylcarbamoyl)phenyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide?
N-[2-(cyclopropylcarbamoyl)phenyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide has a molecular weight of 405.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylcarbamoyl)phenyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 9107521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).