N-[2-(1-benzothiophen-3-yl)ethenylsulfonyl]-2-chloro-4-fluorobenzamide

C17H11ClFNO3S2 — CID 68976913

IUPACN-[2-(1-benzothiophen-3-yl)ethenylsulfonyl]-2-chloro-4-fluorobenzamide
SMILESO=C(NS(=O)(=O)C=Cc1csc2ccccc12)c1ccc(F)cc1Cl
InChIInChI=1S/C17H11ClFNO3S2/c18-15-9-12(19)5-6-14(15)17(21)20-25(22,23)8-7-11-10-24-16-4-2-1-3-13(11)16/h1-10H,(H,20,21)
InChIKeyBFRKRXKMEJMZBQ-UHFFFAOYSA-N
MW395.86 g/mol
LogP4.42
Rot. Bonds4

About N-[2-(1-benzothiophen-3-yl)ethenylsulfonyl]-2-chloro-4-fluorobenzamide

N-[2-(1-benzothiophen-3-yl)ethenylsulfonyl]-2-chloro-4-fluorobenzamide (PubChem CID 68976913) has the molecular formula C17H11ClFNO3S2 and a molecular weight of 395.86 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethenylsulfonyl]-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethenylsulfonyl]-2-chloro-4-fluorobenzamide
PubChem CID68976913
Molecular FormulaC17H11ClFNO3S2
Molecular Weight395.86 g/mol
Exact Mass394.99
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethenylsulfonyl]-2-chloro-4-fluorobenzamide
SMILESO=C(NS(=O)(=O)C=Cc1csc2ccccc12)c1ccc(F)cc1Cl
InChIInChI=1S/C17H11ClFNO3S2/c18-15-9-12(19)5-6-14(15)17(21)20-25(22,23)8-7-11-10-24-16-4-2-1-3-13(11)16/h1-10H,(H,20,21)
InChIKeyBFRKRXKMEJMZBQ-UHFFFAOYSA-N
XLogP4.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.86
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzothiophen-6-ylsulfonyl)-2,4-dichlorobenzamide
CID 10023015
Benzamide, N-(benzo[b]thien-2-ylsulfonyl)-2,4-dichloro-
CID 10068700
N-(1-benzothiophen-5-ylsulfonyl)-2,4-dichlorobenzamide
CID 44391088
4-(2-chlorophenyl)-N-(diaminomethylidene)-1-benzothiophene-2-carboxamide;methanesulfonic acid
CID 11611605
4-(3-chloro-4-fluorophenyl)-N-(diaminomethylidene)-1-benzothiophene-2-carboxamide;methanesulfonic acid
CID 11640818
3-Chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 874691
N-(1-benzothiophen-4-ylsulfonyl)-2,4-dichlorobenzamide
CID 44391114
N-(1-benzothiophen-7-ylsulfonyl)-2,4-dichlorobenzamide
CID 44391121
N'-(benzenesulfonyl)-5-chloro-1-benzothiophene-3-carbohydrazide
CID 2824153
2-chloro-N-(thiophen-2-ylsulfonyl)benzamide
CID 975839
3-chloro-N'-(2-fluorobenzoyl)-1-benzothiophene-2-carbohydrazide
CID 685144
3-Chloro-N'-(4-fluorobenzoyl)benzo[b]thiophene-2-carbohydrazide
CID 685168

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethenylsulfonyl]-2-chloro-4-fluorobenzamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethenylsulfonyl]-2-chloro-4-fluorobenzamide (CID 68976913) is N-[2-(1-benzothiophen-3-yl)ethenylsulfonyl]-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethenylsulfonyl]-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethenylsulfonyl]-2-chloro-4-fluorobenzamide is O=C(NS(=O)(=O)C=Cc1csc2ccccc12)c1ccc(F)cc1Cl.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethenylsulfonyl]-2-chloro-4-fluorobenzamide?
The InChIKey is BFRKRXKMEJMZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO3S2/c18-15-9-12(19)5-6-14(15)17(21)20-25(22,23)8-7-11-10-24-16-4-2-1-3-13(11)16/h1-10H,(H,20,21).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethenylsulfonyl]-2-chloro-4-fluorobenzamide?
N-[2-(1-benzothiophen-3-yl)ethenylsulfonyl]-2-chloro-4-fluorobenzamide has a molecular weight of 395.86 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethenylsulfonyl]-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 68976913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).