5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide

C15H14ClFN2O3S — CID 9077073

IUPAC5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)ccc2F)c1
InChIInChI=1S/C15H14ClFN2O3S/c1-19(2)23(21,22)12-5-3-4-11(9-12)18-15(20)13-8-10(16)6-7-14(13)17/h3-9H,1-2H3,(H,18,20)
InChIKeyJJXHIOZKYWTTPP-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.98
Rot. Bonds4

About 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide

5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide (PubChem CID 9077073) has the molecular formula C15H14ClFN2O3S and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
PubChem CID9077073
Molecular FormulaC15H14ClFN2O3S
Molecular Weight356.81 g/mol
Exact Mass356.04
IUPAC Name5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)ccc2F)c1
InChIInChI=1S/C15H14ClFN2O3S/c1-19(2)23(21,22)12-5-3-4-11(9-12)18-15(20)13-8-10(16)6-7-14(13)17/h3-9H,1-2H3,(H,18,20)
InChIKeyJJXHIOZKYWTTPP-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide
CID 17457217
2,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 9494815
N-[3-(dimethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26654058
N-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide
CID 9093791
2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide
CID 106852841
N-(5-chloro-2-fluorophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2664609
2-chloro-5-(dimethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1310378
3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 26721473
N-[3-(dimethylsulfamoyl)phenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 36753836
2-(2,5-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 26416969
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 8579892

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide (CID 9077073) is 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)ccc2F)c1.
What is the InChIKey of 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide?
The InChIKey is JJXHIOZKYWTTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3S/c1-19(2)23(21,22)12-5-3-4-11(9-12)18-15(20)13-8-10(16)6-7-14(13)17/h3-9H,1-2H3,(H,18,20).
What are the key properties of 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide?
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide has a molecular weight of 356.81 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 9077073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).