N-(3-cyanophenyl)-4-(2-fluoroanilino)sulfanylbenzamide

C20H14FN3OS — CID 170976944

IUPACN-(3-cyanophenyl)-4-(2-fluoroanilino)sulfanylbenzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(SNc3ccccc3F)cc2)c1
InChIInChI=1S/C20H14FN3OS/c21-18-6-1-2-7-19(18)24-26-17-10-8-15(9-11-17)20(25)23-16-5-3-4-14(12-16)13-22/h1-12,24H,(H,23,25)
InChIKeyFUSRSTXEJMTTDK-UHFFFAOYSA-N
MW363.42 g/mol
LogP5.07
Rot. Bonds5

About N-(3-cyanophenyl)-4-(2-fluoroanilino)sulfanylbenzamide

N-(3-cyanophenyl)-4-(2-fluoroanilino)sulfanylbenzamide (PubChem CID 170976944) has the molecular formula C20H14FN3OS and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(2-fluoroanilino)sulfanylbenzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(2-fluoroanilino)sulfanylbenzamide
PubChem CID170976944
Molecular FormulaC20H14FN3OS
Molecular Weight363.42 g/mol
Exact Mass363.08
IUPAC NameN-(3-cyanophenyl)-4-(2-fluoroanilino)sulfanylbenzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(SNc3ccccc3F)cc2)c1
InChIInChI=1S/C20H14FN3OS/c21-18-6-1-2-7-19(18)24-26-17-10-8-15(9-11-17)20(25)23-16-5-3-4-14(12-16)13-22/h1-12,24H,(H,23,25)
InChIKeyFUSRSTXEJMTTDK-UHFFFAOYSA-N
XLogP5.07
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide
CID 17469695
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
4-amino-N-(3-cyanophenyl)-3-fluorobenzamide
CID 62678530
4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide
CID 47421832
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
N-(3-chloro-2-methylphenyl)-4-(2-fluoroanilino)sulfanylbenzamide
CID 170977316
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-(3-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128393
4-N-(2-fluorophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049881

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(2-fluoroanilino)sulfanylbenzamide?
The IUPAC name of N-(3-cyanophenyl)-4-(2-fluoroanilino)sulfanylbenzamide (CID 170976944) is N-(3-cyanophenyl)-4-(2-fluoroanilino)sulfanylbenzamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(2-fluoroanilino)sulfanylbenzamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(2-fluoroanilino)sulfanylbenzamide is N#Cc1cccc(NC(=O)c2ccc(SNc3ccccc3F)cc2)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-(2-fluoroanilino)sulfanylbenzamide?
The InChIKey is FUSRSTXEJMTTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3OS/c21-18-6-1-2-7-19(18)24-26-17-10-8-15(9-11-17)20(25)23-16-5-3-4-14(12-16)13-22/h1-12,24H,(H,23,25).
What are the key properties of N-(3-cyanophenyl)-4-(2-fluoroanilino)sulfanylbenzamide?
N-(3-cyanophenyl)-4-(2-fluoroanilino)sulfanylbenzamide has a molecular weight of 363.42 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-(2-fluoroanilino)sulfanylbenzamide is sourced from PubChem (CID 170976944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).