4-[4-(3-cyanophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide

C17H11FN2O2S2 — CID 139972086

IUPAC4-[4-(3-cyanophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide
SMILESN#Cc1cccc(-c2cscc2-c2ccc(S(N)(=O)=O)c(F)c2)c1
InChIInChI=1S/C17H11FN2O2S2/c18-16-7-13(4-5-17(16)24(20,21)22)15-10-23-9-14(15)12-3-1-2-11(6-12)8-19/h1-7,9-10H,(H2,20,21,22)
InChIKeyQRYYKYLJSGEAFB-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.74
Rot. Bonds3

About 4-[4-(3-cyanophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide

4-[4-(3-cyanophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide (PubChem CID 139972086) has the molecular formula C17H11FN2O2S2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-[4-(3-cyanophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(3-cyanophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide
PubChem CID139972086
Molecular FormulaC17H11FN2O2S2
Molecular Weight358.42 g/mol
Exact Mass358.02
IUPAC Name4-[4-(3-cyanophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide
SMILESN#Cc1cccc(-c2cscc2-c2ccc(S(N)(=O)=O)c(F)c2)c1
InChIInChI=1S/C17H11FN2O2S2/c18-16-7-13(4-5-17(16)24(20,21)22)15-10-23-9-14(15)12-3-1-2-11(6-12)8-19/h1-7,9-10H,(H2,20,21,22)
InChIKeyQRYYKYLJSGEAFB-UHFFFAOYSA-N
XLogP3.74
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide
CID 139972035
4-[4-(4-chlorophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide
CID 139972120
2-fluoro-4-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]benzenesulfonamide
CID 139972097
4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide
CID 139972080
5-cyano-2-fluorobenzenesulfonamide
CID 67530919
3-(4-bromophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene
CID 18183344
3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene
CID 18183335
3-[3-(3-cyanophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
CID 18754834
3-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzonitrile
CID 81192280
3-(2,6-difluorophenyl)benzonitrile
CID 83810039
3-(3,5-difluoro-4-methylphenyl)benzonitrile
CID 158541554
3-(2-amino-4-fluorophenyl)benzonitrile
CID 107626378

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-cyanophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-[4-(3-cyanophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide (CID 139972086) is 4-[4-(3-cyanophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[4-(3-cyanophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-[4-(3-cyanophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide is N#Cc1cccc(-c2cscc2-c2ccc(S(N)(=O)=O)c(F)c2)c1.
What is the InChIKey of 4-[4-(3-cyanophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide?
The InChIKey is QRYYKYLJSGEAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O2S2/c18-16-7-13(4-5-17(16)24(20,21)22)15-10-23-9-14(15)12-3-1-2-11(6-12)8-19/h1-7,9-10H,(H2,20,21,22).
What are the key properties of 4-[4-(3-cyanophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide?
4-[4-(3-cyanophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-cyanophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 139972086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).