4-chloro-N-[2-fluoro-4-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide

C19H15ClFN3O3S — CID 18892602

IUPAC4-chloro-N-[2-fluoro-4-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccncc2)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClFN3O3S/c20-15-3-1-14(2-4-15)19(25)24-18-6-5-16(11-17(18)21)28(26,27)23-12-13-7-9-22-10-8-13/h1-11,23H,12H2,(H,24,25)
InChIKeyUJEKMGSJMVTFQT-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.60
Rot. Bonds6

About 4-chloro-N-[2-fluoro-4-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide

4-chloro-N-[2-fluoro-4-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide (PubChem CID 18892602) has the molecular formula C19H15ClFN3O3S and a molecular weight of 419.87 g/mol. Its IUPAC name is 4-chloro-N-[2-fluoro-4-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-fluoro-4-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide
PubChem CID18892602
Molecular FormulaC19H15ClFN3O3S
Molecular Weight419.87 g/mol
Exact Mass419.05
IUPAC Name4-chloro-N-[2-fluoro-4-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccncc2)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClFN3O3S/c20-15-3-1-14(2-4-15)19(25)24-18-6-5-16(11-17(18)21)28(26,27)23-12-13-7-9-22-10-8-13/h1-11,23H,12H2,(H,24,25)
InChIKeyUJEKMGSJMVTFQT-UHFFFAOYSA-N
XLogP3.60
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-[(2-chlorophenyl)methylsulfamoyl]-2-fluorophenyl]benzamide
CID 18892590
N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060984
N-(4-chloro-2-fluorophenyl)-4-(ethylsulfamoyl)benzamide
CID 9211461
4-chloro-N-[2-fluoro-4-(3-propan-2-yloxypropylsulfamoyl)phenyl]benzamide
CID 18892698
4-chloro-N-[4-[(2,6-difluorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892640
N-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060998
4-chloro-N-[4-(cyclopentylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892580
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892610
4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide
CID 5213752
4-chloro-N-[4-(cyclohexylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892581
4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892724
N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 5073710

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-fluoro-4-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-fluoro-4-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide (CID 18892602) is 4-chloro-N-[2-fluoro-4-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-fluoro-4-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-fluoro-4-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)NCc2ccncc2)cc1F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-fluoro-4-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide?
The InChIKey is UJEKMGSJMVTFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3S/c20-15-3-1-14(2-4-15)19(25)24-18-6-5-16(11-17(18)21)28(26,27)23-12-13-7-9-22-10-8-13/h1-11,23H,12H2,(H,24,25).
What are the key properties of 4-chloro-N-[2-fluoro-4-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide?
4-chloro-N-[2-fluoro-4-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide has a molecular weight of 419.87 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-fluoro-4-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 18892602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).