N-[(3-chlorothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide

C11H9ClFNO2S2 — CID 2808237

IUPACN-[(3-chlorothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1sccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C11H9ClFNO2S2/c12-10-5-6-17-11(10)7-14-18(15,16)9-3-1-8(13)2-4-9/h1-6,14H,7H2
InChIKeyCQHVQCHLYDADKK-UHFFFAOYSA-N
MW305.78 g/mol
LogP3.02
Rot. Bonds4

About N-[(3-chlorothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide

N-[(3-chlorothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 2808237) has the molecular formula C11H9ClFNO2S2 and a molecular weight of 305.78 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
PubChem CID2808237
Molecular FormulaC11H9ClFNO2S2
Molecular Weight305.78 g/mol
Exact Mass304.97
IUPAC NameN-[(3-chlorothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1sccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C11H9ClFNO2S2/c12-10-5-6-17-11(10)7-14-18(15,16)9-3-1-8(13)2-4-9/h1-6,14H,7H2
InChIKeyCQHVQCHLYDADKK-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(3-chlorothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide (CID 2808237) is N-[(3-chlorothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCc1sccc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is CQHVQCHLYDADKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO2S2/c12-10-5-6-17-11(10)7-14-18(15,16)9-3-1-8(13)2-4-9/h1-6,14H,7H2.
What are the key properties of N-[(3-chlorothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide?
N-[(3-chlorothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 305.78 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2808237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).