N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide

C16H12ClFN2O3S2 — CID 169144861

IUPACN-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(Cl)cc(NC(=O)c2cc3c(F)cccc3s2)c1
InChIInChI=1S/C16H12ClFN2O3S2/c1-25(22,23)20-11-6-9(17)5-10(7-11)19-16(21)15-8-12-13(18)3-2-4-14(12)24-15/h2-8,20H,1H3,(H,19,21)
InChIKeyDONGMUYCHAVHLY-UHFFFAOYSA-N
MW398.87 g/mol
LogP4.32
Rot. Bonds4

About N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide

N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 169144861) has the molecular formula C16H12ClFN2O3S2 and a molecular weight of 398.87 g/mol. Its IUPAC name is N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
PubChem CID169144861
Molecular FormulaC16H12ClFN2O3S2
Molecular Weight398.87 g/mol
Exact Mass398.00
IUPAC NameN-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(Cl)cc(NC(=O)c2cc3c(F)cccc3s2)c1
InChIInChI=1S/C16H12ClFN2O3S2/c1-25(22,23)20-11-6-9(17)5-10(7-11)19-16(21)15-8-12-13(18)3-2-4-14(12)24-15/h2-8,20H,1H3,(H,19,21)
InChIKeyDONGMUYCHAVHLY-UHFFFAOYSA-N
XLogP4.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-5-(methanesulfonamido)phenyl]thieno[2,3-c]pyridine-2-carboxamide
CID 169144949
4-fluoro-N-(2-fluoro-5-methylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 31931032
methyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
CID 30469108
N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 31495952
N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 30664998
4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 36679235
4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 17396124
4-fluoro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide
CID 31508762
N-[3-(cyclopropylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 33310920
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-methylthiophene-2-carboxamide
CID 169145005
4-fluoro-1-benzothiophene-2-carbonyl chloride
CID 119087029
4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 31509000

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide (CID 169144861) is N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide is CS(=O)(=O)Nc1cc(Cl)cc(NC(=O)c2cc3c(F)cccc3s2)c1.
What is the InChIKey of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is DONGMUYCHAVHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O3S2/c1-25(22,23)20-11-6-9(17)5-10(7-11)19-16(21)15-8-12-13(18)3-2-4-14(12)24-15/h2-8,20H,1H3,(H,19,21).
What are the key properties of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 398.87 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 169144861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).