N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide

C21H21ClN2O4S — CID 26721810

IUPACN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)oc(C)c2C)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C21H21ClN2O4S/c1-12-8-9-17(23-21(25)20-13(2)14(3)28-15(20)4)11-19(12)29(26,27)24-18-7-5-6-16(22)10-18/h5-11,24H,1-4H3,(H,23,25)
InChIKeyLDBOQNLZJLPWGH-UHFFFAOYSA-N
MW432.93 g/mol
LogP5.22
Rot. Bonds5

About N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide

N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 26721810) has the molecular formula C21H21ClN2O4S and a molecular weight of 432.93 g/mol. Its IUPAC name is N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide
PubChem CID26721810
Molecular FormulaC21H21ClN2O4S
Molecular Weight432.93 g/mol
Exact Mass432.09
IUPAC NameN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)oc(C)c2C)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C21H21ClN2O4S/c1-12-8-9-17(23-21(25)20-13(2)14(3)28-15(20)4)11-19(12)29(26,27)24-18-7-5-6-16(22)10-18/h5-11,24H,1-4H3,(H,23,25)
InChIKeyLDBOQNLZJLPWGH-UHFFFAOYSA-N
XLogP5.22
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.93
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 26720987
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbenzamide
CID 26774127
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide
CID 112789500
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-6-methylpyridine-3-carboxamide
CID 38020627
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,6-difluorobenzamide
CID 36772113
N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26979177
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 55787366
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4-dimethoxybenzamide
CID 26774130
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(3-methoxyphenyl)acetamide
CID 42990204
N-[2-[3-[(3-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 42992241
4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805754
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide
CID 119675111

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide (CID 26721810) is N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide is Cc1ccc(NC(=O)c2c(C)oc(C)c2C)cc1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is LDBOQNLZJLPWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O4S/c1-12-8-9-17(23-21(25)20-13(2)14(3)28-15(20)4)11-19(12)29(26,27)24-18-7-5-6-16(22)10-18/h5-11,24H,1-4H3,(H,23,25).
What are the key properties of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide?
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 432.93 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 26721810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).