N-(3-chloro-4-cyanophenyl)sulfonyl-4-fluoro-1-benzothiophene-2-carboxamide

C16H8ClFN2O3S2 — CID 155946903

IUPACN-(3-chloro-4-cyanophenyl)sulfonyl-4-fluoro-1-benzothiophene-2-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)NC(=O)c2cc3c(F)cccc3s2)cc1Cl
InChIInChI=1S/C16H8ClFN2O3S2/c17-12-6-10(5-4-9(12)8-19)25(22,23)20-16(21)15-7-11-13(18)2-1-3-14(11)24-15/h1-7H,(H,20,21)
InChIKeyOLTZHGMVLISDPE-UHFFFAOYSA-N
MW394.84 g/mol
LogP3.68
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)sulfonyl-4-fluoro-1-benzothiophene-2-carboxamide

N-(3-chloro-4-cyanophenyl)sulfonyl-4-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 155946903) has the molecular formula C16H8ClFN2O3S2 and a molecular weight of 394.84 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)sulfonyl-4-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)sulfonyl-4-fluoro-1-benzothiophene-2-carboxamide
PubChem CID155946903
Molecular FormulaC16H8ClFN2O3S2
Molecular Weight394.84 g/mol
Exact Mass393.96
IUPAC NameN-(3-chloro-4-cyanophenyl)sulfonyl-4-fluoro-1-benzothiophene-2-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)NC(=O)c2cc3c(F)cccc3s2)cc1Cl
InChIInChI=1S/C16H8ClFN2O3S2/c17-12-6-10(5-4-9(12)8-19)25(22,23)20-16(21)15-7-11-13(18)2-1-3-14(11)24-15/h1-7H,(H,20,21)
InChIKeyOLTZHGMVLISDPE-UHFFFAOYSA-N
XLogP3.68
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)sulfonyl-4-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)sulfonyl-4-fluoro-1-benzothiophene-2-carboxamide (CID 155946903) is N-(3-chloro-4-cyanophenyl)sulfonyl-4-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)sulfonyl-4-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)sulfonyl-4-fluoro-1-benzothiophene-2-carboxamide is N#Cc1ccc(S(=O)(=O)NC(=O)c2cc3c(F)cccc3s2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)sulfonyl-4-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is OLTZHGMVLISDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClFN2O3S2/c17-12-6-10(5-4-9(12)8-19)25(22,23)20-16(21)15-7-11-13(18)2-1-3-14(11)24-15/h1-7H,(H,20,21).
What are the key properties of N-(3-chloro-4-cyanophenyl)sulfonyl-4-fluoro-1-benzothiophene-2-carboxamide?
N-(3-chloro-4-cyanophenyl)sulfonyl-4-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 394.84 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)sulfonyl-4-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 155946903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).