N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide

C16H17FN2O3S — CID 24546886

IUPACN-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H17FN2O3S/c1-11-6-7-14(23(18,21)22)9-15(11)16(20)19(2)10-12-4-3-5-13(17)8-12/h3-9H,10H2,1-2H3,(H2,18,21,22)
InChIKeyKJUUYHJVGSOFNY-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.05
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide

N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide (PubChem CID 24546886) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
PubChem CID24546886
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H17FN2O3S/c1-11-6-7-14(23(18,21)22)9-15(11)16(20)19(2)10-12-4-3-5-13(17)8-12/h3-9H,10H2,1-2H3,(H2,18,21,22)
InChIKeyKJUUYHJVGSOFNY-UHFFFAOYSA-N
XLogP2.05
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 27827677
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
CID 9094453
N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24546841
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 42909107
N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 32895401
2-fluoro-N-[(3-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 79770083
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78852267
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 18112583
4-amino-3-[(3-fluorophenyl)methyl-methylamino]benzenesulfonamide
CID 82900035
5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide (CID 24546886) is N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide?
The InChIKey is KJUUYHJVGSOFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-11-6-7-14(23(18,21)22)9-15(11)16(20)19(2)10-12-4-3-5-13(17)8-12/h3-9H,10H2,1-2H3,(H2,18,21,22).
What are the key properties of N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide?
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide has a molecular weight of 336.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 24546886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).