3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide

C9H11FN2O3S — CID 137443191

IUPAC3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide
SMILESCN(C)C(=O)c1ccc(S(N)(=O)=O)c(F)c1
InChIInChI=1S/C9H11FN2O3S/c1-12(2)9(13)6-3-4-8(7(10)5-6)16(11,14)15/h3-5H,1-2H3,(H2,11,14,15)
InChIKeyITHZFGDCEMMSII-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.17
Rot. Bonds2

About 3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide

3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide (PubChem CID 137443191) has the molecular formula C9H11FN2O3S and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide.

Molecular Properties

Compound Name3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide
PubChem CID137443191
Molecular FormulaC9H11FN2O3S
Molecular Weight246.26 g/mol
Exact Mass246.05
IUPAC Name3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide
SMILESCN(C)C(=O)c1ccc(S(N)(=O)=O)c(F)c1
InChIInChI=1S/C9H11FN2O3S/c1-12(2)9(13)6-3-4-8(7(10)5-6)16(11,14)15/h3-5H,1-2H3,(H2,11,14,15)
InChIKeyITHZFGDCEMMSII-UHFFFAOYSA-N
XLogP0.17
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide
CID 76644653
4-aminosulfanyl-3-fluoro-N,N-dimethylbenzamide;ethane
CID 142522795
N,N-dimethyl-4-sulfamoylbenzamide
CID 10353728
N,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide
CID 65374064
2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid
CID 70501184
4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide
CID 135152216
N,N,5-trimethyl-2-sulfamoylbenzamide
CID 65456580
4-amino-N,N-dimethyl-3-methylsulfonylbenzamide
CID 63360505
4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide
CID 43011499
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-fluorobenzenesulfonamide;hydrochloride
CID 120818154
N,N,4-trimethyl-3-methylsulfonylbenzamide
CID 118473526
methyl 2-(3-fluoro-4-sulfamoylbenzoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 156758390

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide?
The IUPAC name of 3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide (CID 137443191) is 3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide.
What is the SMILES notation for 3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide?
The canonical SMILES for 3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide is CN(C)C(=O)c1ccc(S(N)(=O)=O)c(F)c1.
What is the InChIKey of 3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide?
The InChIKey is ITHZFGDCEMMSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3S/c1-12(2)9(13)6-3-4-8(7(10)5-6)16(11,14)15/h3-5H,1-2H3,(H2,11,14,15).
What are the key properties of 3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide?
3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide has a molecular weight of 246.26 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide is sourced from PubChem (CID 137443191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).