3-amino-N-(3-cyanothiophen-2-yl)-4-fluorobenzenesulfonamide

C11H8FN3O2S2 — CID 61107621

IUPAC3-amino-N-(3-cyanothiophen-2-yl)-4-fluorobenzenesulfonamide
SMILESN#Cc1ccsc1NS(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C11H8FN3O2S2/c12-9-2-1-8(5-10(9)14)19(16,17)15-11-7(6-13)3-4-18-11/h1-5,15H,14H2
InChIKeyAQMHXLVLBHPCKD-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.14
Rot. Bonds3

About 3-amino-N-(3-cyanothiophen-2-yl)-4-fluorobenzenesulfonamide

3-amino-N-(3-cyanothiophen-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 61107621) has the molecular formula C11H8FN3O2S2 and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-amino-N-(3-cyanothiophen-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-cyanothiophen-2-yl)-4-fluorobenzenesulfonamide
PubChem CID61107621
Molecular FormulaC11H8FN3O2S2
Molecular Weight297.34 g/mol
Exact Mass297.00
IUPAC Name3-amino-N-(3-cyanothiophen-2-yl)-4-fluorobenzenesulfonamide
SMILESN#Cc1ccsc1NS(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C11H8FN3O2S2/c12-9-2-1-8(5-10(9)14)19(16,17)15-11-7(6-13)3-4-18-11/h1-5,15H,14H2
InChIKeyAQMHXLVLBHPCKD-UHFFFAOYSA-N
XLogP2.14
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide
CID 64899347
5-amino-N-(3-cyanothiophen-2-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 80645700
3-acetyl-N-(3-cyanothiophen-2-yl)benzenesulfonamide
CID 61252023
4-amino-N-(3-cyano-4-fluorophenyl)-3-fluorobenzenesulfonamide
CID 82845927
N-(2-amino-5-methylphenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 115912283
3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66354770
3-cyano-4-fluorobenzenesulfonohydrazide
CID 63288067
4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-fluorobenzenesulfonamide
CID 82845468
5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide
CID 61217111
3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide
CID 63235820
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
3-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43363753

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-cyanothiophen-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-cyanothiophen-2-yl)-4-fluorobenzenesulfonamide (CID 61107621) is 3-amino-N-(3-cyanothiophen-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-cyanothiophen-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-cyanothiophen-2-yl)-4-fluorobenzenesulfonamide is N#Cc1ccsc1NS(=O)(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-N-(3-cyanothiophen-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is AQMHXLVLBHPCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2S2/c12-9-2-1-8(5-10(9)14)19(16,17)15-11-7(6-13)3-4-18-11/h1-5,15H,14H2.
What are the key properties of 3-amino-N-(3-cyanothiophen-2-yl)-4-fluorobenzenesulfonamide?
3-amino-N-(3-cyanothiophen-2-yl)-4-fluorobenzenesulfonamide has a molecular weight of 297.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-cyanothiophen-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 61107621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).