N-[5-[cyanomethyl(methyl)sulfamoyl]thiophen-2-yl]-2-fluorobenzamide

C14H12FN3O3S2 — CID 174855610

IUPACN-[5-[cyanomethyl(methyl)sulfamoyl]thiophen-2-yl]-2-fluorobenzamide
SMILESCN(CC#N)S(=O)(=O)c1ccc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C14H12FN3O3S2/c1-18(9-8-16)23(20,21)13-7-6-12(22-13)17-14(19)10-4-2-3-5-11(10)15/h2-7H,9H2,1H3,(H,17,19)
InChIKeyPLEOPTKXGINJTR-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.28
Rot. Bonds5

About N-[5-[cyanomethyl(methyl)sulfamoyl]thiophen-2-yl]-2-fluorobenzamide

N-[5-[cyanomethyl(methyl)sulfamoyl]thiophen-2-yl]-2-fluorobenzamide (PubChem CID 174855610) has the molecular formula C14H12FN3O3S2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[5-[cyanomethyl(methyl)sulfamoyl]thiophen-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[cyanomethyl(methyl)sulfamoyl]thiophen-2-yl]-2-fluorobenzamide
PubChem CID174855610
Molecular FormulaC14H12FN3O3S2
Molecular Weight353.40 g/mol
Exact Mass353.03
IUPAC NameN-[5-[cyanomethyl(methyl)sulfamoyl]thiophen-2-yl]-2-fluorobenzamide
SMILESCN(CC#N)S(=O)(=O)c1ccc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C14H12FN3O3S2/c1-18(9-8-16)23(20,21)13-7-6-12(22-13)17-14(19)10-4-2-3-5-11(10)15/h2-7H,9H2,1H3,(H,17,19)
InChIKeyPLEOPTKXGINJTR-UHFFFAOYSA-N
XLogP2.28
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[cyanomethyl(methyl)sulfamoyl]thiophen-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[5-[cyanomethyl(methyl)sulfamoyl]thiophen-2-yl]-2-fluorobenzamide (CID 174855610) is N-[5-[cyanomethyl(methyl)sulfamoyl]thiophen-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-[cyanomethyl(methyl)sulfamoyl]thiophen-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[5-[cyanomethyl(methyl)sulfamoyl]thiophen-2-yl]-2-fluorobenzamide is CN(CC#N)S(=O)(=O)c1ccc(NC(=O)c2ccccc2F)s1.
What is the InChIKey of N-[5-[cyanomethyl(methyl)sulfamoyl]thiophen-2-yl]-2-fluorobenzamide?
The InChIKey is PLEOPTKXGINJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3S2/c1-18(9-8-16)23(20,21)13-7-6-12(22-13)17-14(19)10-4-2-3-5-11(10)15/h2-7H,9H2,1H3,(H,17,19).
What are the key properties of N-[5-[cyanomethyl(methyl)sulfamoyl]thiophen-2-yl]-2-fluorobenzamide?
N-[5-[cyanomethyl(methyl)sulfamoyl]thiophen-2-yl]-2-fluorobenzamide has a molecular weight of 353.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[cyanomethyl(methyl)sulfamoyl]thiophen-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 174855610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).