N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide

C14H13FN2O3S — CID 4290

IUPACN-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C14H13FN2O3S/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKeyULYMHSXFSKOHGH-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.40
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide

N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide (PubChem CID 4290) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide
PubChem CID4290
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC NameN-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C14H13FN2O3S/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKeyULYMHSXFSKOHGH-UHFFFAOYSA-N
XLogP1.40
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide (CID 4290) is N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide?
The InChIKey is ULYMHSXFSKOHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide?
N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide has a molecular weight of 308.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 4290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).