5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride

C12H9ClFNO3S2 — CID 43363004

IUPAC5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCc1ccc(S(=O)(=O)Cl)s1)c1ccc(F)cc1
InChIInChI=1S/C12H9ClFNO3S2/c13-20(17,18)11-6-5-10(19-11)7-15-12(16)8-1-3-9(14)4-2-8/h1-6H,7H2,(H,15,16)
InChIKeyFLNAOGNDVCRECC-UHFFFAOYSA-N
MW333.79 g/mol
LogP2.74
Rot. Bonds4

About 5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride

5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride (PubChem CID 43363004) has the molecular formula C12H9ClFNO3S2 and a molecular weight of 333.79 g/mol. Its IUPAC name is 5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
PubChem CID43363004
Molecular FormulaC12H9ClFNO3S2
Molecular Weight333.79 g/mol
Exact Mass332.97
IUPAC Name5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCc1ccc(S(=O)(=O)Cl)s1)c1ccc(F)cc1
InChIInChI=1S/C12H9ClFNO3S2/c13-20(17,18)11-6-5-10(19-11)7-15-12(16)8-1-3-9(14)4-2-8/h1-6H,7H2,(H,15,16)
InChIKeyFLNAOGNDVCRECC-UHFFFAOYSA-N
XLogP2.74
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(4-bromobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363006
5-[[(2-bromo-5-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43362991
4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17436138
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-4-fluorobenzamide
CID 53112444
5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 107998188
5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 43173405
4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(5-sulfamoylthiophen-2-yl)methylamino]butan-2-yl]benzamide
CID 55938069
5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 107517313
5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride
CID 43173395
5-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 102801420
5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 65204805
5-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43362975

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride (CID 43363004) is 5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride is O=C(NCc1ccc(S(=O)(=O)Cl)s1)c1ccc(F)cc1.
What is the InChIKey of 5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride?
The InChIKey is FLNAOGNDVCRECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO3S2/c13-20(17,18)11-6-5-10(19-11)7-15-12(16)8-1-3-9(14)4-2-8/h1-6H,7H2,(H,15,16).
What are the key properties of 5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride?
5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride has a molecular weight of 333.79 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 43363004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).