2-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzamide

C14H13FN2O3S — CID 81185011

IUPAC2-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzamide
SMILESNC(=O)c1ccccc1CS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C14H13FN2O3S/c15-12-7-10(16)5-6-13(12)21(19,20)8-9-3-1-2-4-11(9)14(17)18/h1-7H,8,16H2,(H2,17,18)
InChIKeyFBMLVNFJRBPPBA-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.48
Rot. Bonds4

About 2-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzamide

2-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzamide (PubChem CID 81185011) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzamide.

Molecular Properties

Compound Name2-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzamide
PubChem CID81185011
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name2-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzamide
SMILESNC(=O)c1ccccc1CS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C14H13FN2O3S/c15-12-7-10(16)5-6-13(12)21(19,20)8-9-3-1-2-4-11(9)14(17)18/h1-7H,8,16H2,(H2,17,18)
InChIKeyFBMLVNFJRBPPBA-UHFFFAOYSA-N
XLogP1.48
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-aminophenyl)sulfonylmethyl]benzamide
CID 81180661
3-fluoro-4-[(2-nitrophenyl)methylsulfonyl]aniline
CID 81184842
3-fluoro-4-(pyrimidin-2-ylmethylsulfonyl)aniline
CID 81193163
3-fluoro-4-(pyridin-2-ylmethylsulfonyl)aniline
CID 81192175
4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfonyl)-3-fluoroaniline
CID 81184831
4-[(2-chloro-3-fluorophenyl)methylsulfonyl]-3-methylaniline
CID 115984741
2-(4-amino-2-fluorophenyl)sulfonyl-1-(azepan-1-yl)ethanone
CID 81185010
2-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815579
5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide
CID 61307952
3-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzonitrile
CID 81192280
3-fluoro-4-[(3-methyl-2-pyridinyl)methylsulfonyl]aniline
CID 112651599
4-amino-2-fluorobenzenesulfonyl fluoride
CID 122164176

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzamide?
The IUPAC name of 2-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzamide (CID 81185011) is 2-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzamide.
What is the SMILES notation for 2-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzamide?
The canonical SMILES for 2-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzamide is NC(=O)c1ccccc1CS(=O)(=O)c1ccc(N)cc1F.
What is the InChIKey of 2-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzamide?
The InChIKey is FBMLVNFJRBPPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c15-12-7-10(16)5-6-13(12)21(19,20)8-9-3-1-2-4-11(9)14(17)18/h1-7H,8,16H2,(H2,17,18).
What are the key properties of 2-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzamide?
2-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzamide has a molecular weight of 308.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzamide is sourced from PubChem (CID 81185011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).