N-(2-chlorophenyl)sulfonyl-6-propan-2-yl-1-benzofuran-2-carboxamide

C18H16ClNO4S — CID 166596519

IUPACN-(2-chlorophenyl)sulfonyl-6-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3Cl)oc2c1
InChIInChI=1S/C18H16ClNO4S/c1-11(2)12-7-8-13-10-16(24-15(13)9-12)18(21)20-25(22,23)17-6-4-3-5-14(17)19/h3-11H,1-2H3,(H,20,21)
InChIKeyVJGXGSFWLJVFJV-UHFFFAOYSA-N
MW377.85 g/mol
LogP4.33
Rot. Bonds4

About N-(2-chlorophenyl)sulfonyl-6-propan-2-yl-1-benzofuran-2-carboxamide

N-(2-chlorophenyl)sulfonyl-6-propan-2-yl-1-benzofuran-2-carboxamide (PubChem CID 166596519) has the molecular formula C18H16ClNO4S and a molecular weight of 377.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfonyl-6-propan-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfonyl-6-propan-2-yl-1-benzofuran-2-carboxamide
PubChem CID166596519
Molecular FormulaC18H16ClNO4S
Molecular Weight377.85 g/mol
Exact Mass377.05
IUPAC NameN-(2-chlorophenyl)sulfonyl-6-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3Cl)oc2c1
InChIInChI=1S/C18H16ClNO4S/c1-11(2)12-7-8-13-10-16(24-15(13)9-12)18(21)20-25(22,23)17-6-4-3-5-14(17)19/h3-11H,1-2H3,(H,20,21)
InChIKeyVJGXGSFWLJVFJV-UHFFFAOYSA-N
XLogP4.33
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfonyl-6-propan-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)sulfonyl-6-propan-2-yl-1-benzofuran-2-carboxamide (CID 166596519) is N-(2-chlorophenyl)sulfonyl-6-propan-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)sulfonyl-6-propan-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)sulfonyl-6-propan-2-yl-1-benzofuran-2-carboxamide is CC(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3Cl)oc2c1.
What is the InChIKey of N-(2-chlorophenyl)sulfonyl-6-propan-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is VJGXGSFWLJVFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4S/c1-11(2)12-7-8-13-10-16(24-15(13)9-12)18(21)20-25(22,23)17-6-4-3-5-14(17)19/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-(2-chlorophenyl)sulfonyl-6-propan-2-yl-1-benzofuran-2-carboxamide?
N-(2-chlorophenyl)sulfonyl-6-propan-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 377.85 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfonyl-6-propan-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166596519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).