N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)naphthalene-2-sulfonamide

C21H16ClNO4S — CID 2333595

IUPACN-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)naphthalene-2-sulfonamide
SMILESCC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3ccc4ccccc4c3)cc12
InChIInChI=1S/C21H16ClNO4S/c1-12(24)20-13(2)27-21-18(20)10-16(11-19(21)22)23-28(25,26)17-8-7-14-5-3-4-6-15(14)9-17/h3-11,23H,1-2H3
InChIKeyUONBFKJADGQEJW-UHFFFAOYSA-N
MW413.88 g/mol
LogP5.55
Rot. Bonds4

About N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)naphthalene-2-sulfonamide

N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)naphthalene-2-sulfonamide (PubChem CID 2333595) has the molecular formula C21H16ClNO4S and a molecular weight of 413.88 g/mol. Its IUPAC name is N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)naphthalene-2-sulfonamide
PubChem CID2333595
Molecular FormulaC21H16ClNO4S
Molecular Weight413.88 g/mol
Exact Mass413.05
IUPAC NameN-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)naphthalene-2-sulfonamide
SMILESCC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3ccc4ccccc4c3)cc12
InChIInChI=1S/C21H16ClNO4S/c1-12(24)20-13(2)27-21-18(20)10-16(11-19(21)22)23-28(25,26)17-8-7-14-5-3-4-6-15(14)9-17/h3-11,23H,1-2H3
InChIKeyUONBFKJADGQEJW-UHFFFAOYSA-N
XLogP5.55
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.88
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 7-chloro-2-methyl-5-(naphthalen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate
CID 4049549
7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25047325
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
CID 1137620
7-chloro-2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25046845
N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-ethylbenzenesulfonamide
CID 1105992
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane
CID 159173553
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-methoxybenzenesulfonamide
CID 1098492
ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate
CID 1364614
N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 3457821
7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide
CID 25037370
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)naphthalene-2-sulfonamide?
The IUPAC name of N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)naphthalene-2-sulfonamide (CID 2333595) is N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)naphthalene-2-sulfonamide is CC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3ccc4ccccc4c3)cc12.
What is the InChIKey of N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)naphthalene-2-sulfonamide?
The InChIKey is UONBFKJADGQEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO4S/c1-12(24)20-13(2)27-21-18(20)10-16(11-19(21)22)23-28(25,26)17-8-7-14-5-3-4-6-15(14)9-17/h3-11,23H,1-2H3.
What are the key properties of N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)naphthalene-2-sulfonamide?
N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)naphthalene-2-sulfonamide has a molecular weight of 413.88 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 2333595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).