N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide

C11H8FN3O2S2 — CID 106265104

IUPACN-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2N)s1
InChIInChI=1S/C11H8FN3O2S2/c12-7-1-3-10(9(14)5-7)15-19(16,17)11-4-2-8(6-13)18-11/h1-5,15H,14H2
InChIKeyXTCBSTCNDWNVEC-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.14
Rot. Bonds3

About N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide

N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide (PubChem CID 106265104) has the molecular formula C11H8FN3O2S2 and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
PubChem CID106265104
Molecular FormulaC11H8FN3O2S2
Molecular Weight297.34 g/mol
Exact Mass297.00
IUPAC NameN-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2N)s1
InChIInChI=1S/C11H8FN3O2S2/c12-7-1-3-10(9(14)5-7)15-19(16,17)11-4-2-8(6-13)18-11/h1-5,15H,14H2
InChIKeyXTCBSTCNDWNVEC-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

N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267209
5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106272305
N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 28522075
N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265098
N-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106265286
N-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106272334
5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106269400
N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265196
5-cyano-N-(5-fluoro-2-pyridinyl)thiophene-2-sulfonamide
CID 106268431
N-(2-amino-4-fluorophenyl)benzenesulfonamide
CID 16778352
N-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide
CID 78965582
5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106269401

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide (CID 106265104) is N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2N)s1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide?
The InChIKey is XTCBSTCNDWNVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2S2/c12-7-1-3-10(9(14)5-7)15-19(16,17)11-4-2-8(6-13)18-11/h1-5,15H,14H2.
What are the key properties of N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide?
N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide 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 N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide is sourced from PubChem (CID 106265104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).