3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide

C15H10ClNO2S — CID 78796805

IUPAC3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H10ClNO2S/c16-13-11-6-1-2-7-12(11)20-14(13)15(19)17-9-4-3-5-10(18)8-9/h1-8,18H,(H,17,19)
InChIKeyPOIJQYQFYHATFH-UHFFFAOYSA-N
MW303.77 g/mol
LogP4.51
Rot. Bonds2

About 3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide

3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 78796805) has the molecular formula C15H10ClNO2S and a molecular weight of 303.77 g/mol. Its IUPAC name is 3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
PubChem CID78796805
Molecular FormulaC15H10ClNO2S
Molecular Weight303.77 g/mol
Exact Mass303.01
IUPAC Name3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H10ClNO2S/c16-13-11-6-1-2-7-12(11)20-14(13)15(19)17-9-4-3-5-10(18)8-9/h1-8,18H,(H,17,19)
InChIKeyPOIJQYQFYHATFH-UHFFFAOYSA-N
XLogP4.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 607008
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 681064
N-[3-[acetyl(methyl)amino]phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 46761801
3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 1010573
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607
3-chloro-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide
CID 4203723
3-chloro-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 46410670
3-chloro-N-[3-(1-phenylethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 43877739
3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 17218930
3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 18376667
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide (CID 78796805) is 3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1cccc(O)c1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is POIJQYQFYHATFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2S/c16-13-11-6-1-2-7-12(11)20-14(13)15(19)17-9-4-3-5-10(18)8-9/h1-8,18H,(H,17,19).
What are the key properties of 3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 303.77 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 78796805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).