N-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide

C11H7F2N3O2S2 — CID 106265286

IUPACN-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2c(N)ccc(F)c2F)s1
InChIInChI=1S/C11H7F2N3O2S2/c12-7-2-3-8(15)11(10(7)13)16-20(17,18)9-4-1-6(5-14)19-9/h1-4,16H,15H2
InChIKeyRPIZXCAETIWZFT-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.28
Rot. Bonds3

About N-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide

N-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide (PubChem CID 106265286) has the molecular formula C11H7F2N3O2S2 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide
PubChem CID106265286
Molecular FormulaC11H7F2N3O2S2
Molecular Weight315.33 g/mol
Exact Mass314.99
IUPAC NameN-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2c(N)ccc(F)c2F)s1
InChIInChI=1S/C11H7F2N3O2S2/c12-7-2-3-8(15)11(10(7)13)16-20(17,18)9-4-1-6(5-14)19-9/h1-4,16H,15H2
InChIKeyRPIZXCAETIWZFT-UHFFFAOYSA-N
XLogP2.28
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.28
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

5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106269400
N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265196
N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106265104
N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267208
5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106272305
5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106266948
N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106269382
5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106269401
N-(5-amino-2-pyridinyl)-5-cyanothiophene-2-sulfonamide
CID 106265124
N-(2-bromo-5-chlorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106268722
5-cyano-N-(5-fluoro-2-pyridinyl)thiophene-2-sulfonamide
CID 106268431
N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265098

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide?
The IUPAC name of N-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide (CID 106265286) is N-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide.
What is the SMILES notation for N-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide?
The canonical SMILES for N-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2c(N)ccc(F)c2F)s1.
What is the InChIKey of N-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide?
The InChIKey is RPIZXCAETIWZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O2S2/c12-7-2-3-8(15)11(10(7)13)16-20(17,18)9-4-1-6(5-14)19-9/h1-4,16H,15H2.
What are the key properties of N-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide?
N-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide has a molecular weight of 315.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide is sourced from PubChem (CID 106265286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).