N-(2-chlorophenyl)-1-oxoisothiochromene-3-carboxamide

C16H10ClNO2S — CID 17015288

IUPACN-(2-chlorophenyl)-1-oxoisothiochromene-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc2ccccc2c(=O)s1
InChIInChI=1S/C16H10ClNO2S/c17-12-7-3-4-8-13(12)18-15(19)14-9-10-5-1-2-6-11(10)16(20)21-14/h1-9H,(H,18,19)
InChIKeyCJTPUUFBGRYMIP-UHFFFAOYSA-N
MW315.78 g/mol
LogP4.17
Rot. Bonds2

About N-(2-chlorophenyl)-1-oxoisothiochromene-3-carboxamide

N-(2-chlorophenyl)-1-oxoisothiochromene-3-carboxamide (PubChem CID 17015288) has the molecular formula C16H10ClNO2S and a molecular weight of 315.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-oxoisothiochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-oxoisothiochromene-3-carboxamide
PubChem CID17015288
Molecular FormulaC16H10ClNO2S
Molecular Weight315.78 g/mol
Exact Mass315.01
IUPAC NameN-(2-chlorophenyl)-1-oxoisothiochromene-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc2ccccc2c(=O)s1
InChIInChI=1S/C16H10ClNO2S/c17-12-7-3-4-8-13(12)18-15(19)14-9-10-5-1-2-6-11(10)16(20)21-14/h1-9H,(H,18,19)
InChIKeyCJTPUUFBGRYMIP-UHFFFAOYSA-N
XLogP4.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxoisothiochromene-3-carboxamide
CID 17015309
N-(2,4-dimethylphenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015275
N-(2-ethoxyphenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015267
ethyl 2-[(1-oxoisothiochromene-3-carbonyl)amino]benzoate
CID 20896755
N-(4-methoxyphenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015253
N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 31495952
N-(2-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7947687
N-cyclohexyl-1-oxoisothiochromene-3-carboxamide
CID 20896749
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610
N-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide
CID 4245690
5-amino-N-(2-bromo-3-chlorophenyl)-1-benzothiophene-2-carboxamide
CID 103477175

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-oxoisothiochromene-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-oxoisothiochromene-3-carboxamide (CID 17015288) is N-(2-chlorophenyl)-1-oxoisothiochromene-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-oxoisothiochromene-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-oxoisothiochromene-3-carboxamide is O=C(Nc1ccccc1Cl)c1cc2ccccc2c(=O)s1.
What is the InChIKey of N-(2-chlorophenyl)-1-oxoisothiochromene-3-carboxamide?
The InChIKey is CJTPUUFBGRYMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2S/c17-12-7-3-4-8-13(12)18-15(19)14-9-10-5-1-2-6-11(10)16(20)21-14/h1-9H,(H,18,19).
What are the key properties of N-(2-chlorophenyl)-1-oxoisothiochromene-3-carboxamide?
N-(2-chlorophenyl)-1-oxoisothiochromene-3-carboxamide has a molecular weight of 315.78 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-oxoisothiochromene-3-carboxamide is sourced from PubChem (CID 17015288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).