N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-4-fluorobenzenesulfonamide

C17H13ClFNO2S2 — CID 58287474

IUPACN-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccc(Cl)cc2)s1)c1ccc(F)cc1
InChIInChI=1S/C17H13ClFNO2S2/c18-13-3-1-12(2-4-13)17-10-7-15(23-17)11-20-24(21,22)16-8-5-14(19)6-9-16/h1-10,20H,11H2
InChIKeyRVALOXJQSRWMRN-UHFFFAOYSA-N
MW381.88 g/mol
LogP4.69
Rot. Bonds5

About N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-4-fluorobenzenesulfonamide

N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-4-fluorobenzenesulfonamide (PubChem CID 58287474) has the molecular formula C17H13ClFNO2S2 and a molecular weight of 381.88 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-4-fluorobenzenesulfonamide
PubChem CID58287474
Molecular FormulaC17H13ClFNO2S2
Molecular Weight381.88 g/mol
Exact Mass381.01
IUPAC NameN-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccc(Cl)cc2)s1)c1ccc(F)cc1
InChIInChI=1S/C17H13ClFNO2S2/c18-13-3-1-12(2-4-13)17-10-7-15(23-17)11-20-24(21,22)16-8-5-14(19)6-9-16/h1-10,20H,11H2
InChIKeyRVALOXJQSRWMRN-UHFFFAOYSA-N
XLogP4.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-4-fluorobenzenesulfonamide (CID 58287474) is N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCc1ccc(-c2ccc(Cl)cc2)s1)c1ccc(F)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-4-fluorobenzenesulfonamide?
The InChIKey is RVALOXJQSRWMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2S2/c18-13-3-1-12(2-4-13)17-10-7-15(23-17)11-20-24(21,22)16-8-5-14(19)6-9-16/h1-10,20H,11H2.
What are the key properties of N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-4-fluorobenzenesulfonamide?
N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-4-fluorobenzenesulfonamide has a molecular weight of 381.88 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 58287474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).