7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide

C23H19ClN2O4S — CID 25047325

IUPAC7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c3oc(C)c(C(=O)Nc4ccccc4)c3c2)cc1
InChIInChI=1S/C23H19ClN2O4S/c1-14-8-10-18(11-9-14)31(28,29)26-17-12-19-21(15(2)30-22(19)20(24)13-17)23(27)25-16-6-4-3-5-7-16/h3-13,26H,1-2H3,(H,25,27)
InChIKeyJJYHCMVPAPTZDF-UHFFFAOYSA-N
MW454.94 g/mol
LogP5.76
Rot. Bonds5

About 7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide

7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide (PubChem CID 25047325) has the molecular formula C23H19ClN2O4S and a molecular weight of 454.94 g/mol. Its IUPAC name is 7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
PubChem CID25047325
Molecular FormulaC23H19ClN2O4S
Molecular Weight454.94 g/mol
Exact Mass454.08
IUPAC Name7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c3oc(C)c(C(=O)Nc4ccccc4)c3c2)cc1
InChIInChI=1S/C23H19ClN2O4S/c1-14-8-10-18(11-9-14)31(28,29)26-17-12-19-21(15(2)30-22(19)20(24)13-17)23(27)25-16-6-4-3-5-7-16/h3-13,26H,1-2H3,(H,25,27)
InChIKeyJJYHCMVPAPTZDF-UHFFFAOYSA-N
XLogP5.76
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.94
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25046845
7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide
CID 25037370
5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide
CID 25037352
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)naphthalene-2-sulfonamide
CID 2333595
ethyl 7-chloro-2-methyl-5-(naphthalen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate
CID 4049549
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate
CID 1364614
4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109061613
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate
CID 2486172
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide?
The IUPAC name of 7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide (CID 25047325) is 7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)c3oc(C)c(C(=O)Nc4ccccc4)c3c2)cc1.
What is the InChIKey of 7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide?
The InChIKey is JJYHCMVPAPTZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O4S/c1-14-8-10-18(11-9-14)31(28,29)26-17-12-19-21(15(2)30-22(19)20(24)13-17)23(27)25-16-6-4-3-5-7-16/h3-13,26H,1-2H3,(H,25,27).
What are the key properties of 7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide?
7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide has a molecular weight of 454.94 g/mol, XLogP of 5.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 25047325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).