4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide

C16H18FNO2S2 — CID 139972080

IUPAC4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cscc2C2CCCCC2)cc1F
InChIInChI=1S/C16H18FNO2S2/c17-15-8-12(6-7-16(15)22(18,19)20)14-10-21-9-13(14)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,18,19,20)
InChIKeyCWJDPPHKFJYSOB-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.25
Rot. Bonds3

About 4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide

4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide (PubChem CID 139972080) has the molecular formula C16H18FNO2S2 and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide
PubChem CID139972080
Molecular FormulaC16H18FNO2S2
Molecular Weight339.46 g/mol
Exact Mass339.08
IUPAC Name4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cscc2C2CCCCC2)cc1F
InChIInChI=1S/C16H18FNO2S2/c17-15-8-12(6-7-16(15)22(18,19)20)14-10-21-9-13(14)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,18,19,20)
InChIKeyCWJDPPHKFJYSOB-UHFFFAOYSA-N
XLogP4.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide (CID 139972080) is 4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(-c2cscc2C2CCCCC2)cc1F.
What is the InChIKey of 4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide?
The InChIKey is CWJDPPHKFJYSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S2/c17-15-8-12(6-7-16(15)22(18,19)20)14-10-21-9-13(14)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,18,19,20).
What are the key properties of 4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide?
4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 139972080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).