2-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]acetamide

C13H11ClFNO3S2 — CID 42100189

IUPAC2-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)s1)NCc1ccc(F)cc1
InChIInChI=1S/C13H11ClFNO3S2/c14-11-5-6-13(20-11)21(18,19)8-12(17)16-7-9-1-3-10(15)4-2-9/h1-6H,7-8H2,(H,16,17)
InChIKeyXZBVUMNMMXQZNJ-UHFFFAOYSA-N
MW347.82 g/mol
LogP2.63
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]acetamide

2-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 42100189) has the molecular formula C13H11ClFNO3S2 and a molecular weight of 347.82 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID42100189
Molecular FormulaC13H11ClFNO3S2
Molecular Weight347.82 g/mol
Exact Mass346.99
IUPAC Name2-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)s1)NCc1ccc(F)cc1
InChIInChI=1S/C13H11ClFNO3S2/c14-11-5-6-13(20-11)21(18,19)8-12(17)16-7-9-1-3-10(15)4-2-9/h1-6H,7-8H2,(H,16,17)
InChIKeyXZBVUMNMMXQZNJ-UHFFFAOYSA-N
XLogP2.63
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2536317
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 4788611
3-[(2-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 4988112
3-[(4-chlorobenzyl)thio]-N-(thien-2-ylmethyl)propanamide
CID 5179108
N-(2-chlorobenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 22427303
3-(4-chlorophenyl)-N-(2-thienylmethyl)acrylamide
CID 897764
3-[(4-methylbenzyl)sulfonyl]-N-(thien-2-ylmethyl)propanamide
CID 3241727
N-[(2-Chlorophenyl)methyl]-2-(N-methylthiophene-2-sulfonamido)acetamide
CID 6619347
N-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7012503
N-benzyl-3-[(2-thienylsulfonyl)amino]propanamide
CID 9551483
N-[2-(benzenesulfonyl)-2-(thiophen-2-yl)ethyl]-N'-[(2-chlorophenyl)methyl]ethanediamide
CID 16032066
N1-(4-chlorobenzyl)-N2-((1-(thiophen-2-ylsulfonyl)pyrrolidin-2-yl)methyl)oxalamide
CID 18574862

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]acetamide (CID 42100189) is 2-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]acetamide is O=C(CS(=O)(=O)c1ccc(Cl)s1)NCc1ccc(F)cc1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is XZBVUMNMMXQZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3S2/c14-11-5-6-13(20-11)21(18,19)8-12(17)16-7-9-1-3-10(15)4-2-9/h1-6H,7-8H2,(H,16,17).
What are the key properties of 2-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]acetamide?
2-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 347.82 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 42100189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).