2-fluoro-1-(N-methylanilino)-4-[(sulfamoylamino)methyl]benzene

C14H16FN3O2S — CID 71939102

IUPAC2-fluoro-1-(N-methylanilino)-4-[(sulfamoylamino)methyl]benzene
SMILESCN(c1ccccc1)c1ccc(CNS(N)(=O)=O)cc1F
InChIInChI=1S/C14H16FN3O2S/c1-18(12-5-3-2-4-6-12)14-8-7-11(9-13(14)15)10-17-21(16,19)20/h2-9,17H,10H2,1H3,(H2,16,19,20)
InChIKeyTYTOJPMVENYOCA-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.89
Rot. Bonds5

About 2-fluoro-1-(N-methylanilino)-4-[(sulfamoylamino)methyl]benzene

2-fluoro-1-(N-methylanilino)-4-[(sulfamoylamino)methyl]benzene (PubChem CID 71939102) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-fluoro-1-(N-methylanilino)-4-[(sulfamoylamino)methyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-(N-methylanilino)-4-[(sulfamoylamino)methyl]benzene
PubChem CID71939102
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name2-fluoro-1-(N-methylanilino)-4-[(sulfamoylamino)methyl]benzene
SMILESCN(c1ccccc1)c1ccc(CNS(N)(=O)=O)cc1F
InChIInChI=1S/C14H16FN3O2S/c1-18(12-5-3-2-4-6-12)14-8-7-11(9-13(14)15)10-17-21(16,19)20/h2-9,17H,10H2,1H3,(H2,16,19,20)
InChIKeyTYTOJPMVENYOCA-UHFFFAOYSA-N
XLogP1.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(N-methylanilino)-4-[(sulfamoylamino)methyl]benzene?
The IUPAC name of 2-fluoro-1-(N-methylanilino)-4-[(sulfamoylamino)methyl]benzene (CID 71939102) is 2-fluoro-1-(N-methylanilino)-4-[(sulfamoylamino)methyl]benzene.
What is the SMILES notation for 2-fluoro-1-(N-methylanilino)-4-[(sulfamoylamino)methyl]benzene?
The canonical SMILES for 2-fluoro-1-(N-methylanilino)-4-[(sulfamoylamino)methyl]benzene is CN(c1ccccc1)c1ccc(CNS(N)(=O)=O)cc1F.
What is the InChIKey of 2-fluoro-1-(N-methylanilino)-4-[(sulfamoylamino)methyl]benzene?
The InChIKey is TYTOJPMVENYOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-18(12-5-3-2-4-6-12)14-8-7-11(9-13(14)15)10-17-21(16,19)20/h2-9,17H,10H2,1H3,(H2,16,19,20).
What are the key properties of 2-fluoro-1-(N-methylanilino)-4-[(sulfamoylamino)methyl]benzene?
2-fluoro-1-(N-methylanilino)-4-[(sulfamoylamino)methyl]benzene has a molecular weight of 309.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(N-methylanilino)-4-[(sulfamoylamino)methyl]benzene is sourced from PubChem (CID 71939102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).