N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide

C17H20ClN3O4S — CID 92664148

IUPACN-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1Cl
InChIInChI=1S/C17H20ClN3O4S/c1-20(2)26(23,24)21(3)14-8-5-12(6-9-14)17(22)19-13-7-10-16(25-4)15(18)11-13/h5-11H,1-4H3,(H,19,22)
InChIKeyMYBIGAGLMIHLHA-UHFFFAOYSA-N
MW397.88 g/mol
LogP2.84
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide

N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide (PubChem CID 92664148) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
PubChem CID92664148
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1Cl
InChIInChI=1S/C17H20ClN3O4S/c1-20(2)26(23,24)21(3)14-8-5-12(6-9-14)17(22)19-13-7-10-16(25-4)15(18)11-13/h5-11H,1-4H3,(H,19,22)
InChIKeyMYBIGAGLMIHLHA-UHFFFAOYSA-N
XLogP2.84
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126412313
N-(3-chloro-4-methoxyphenyl)-4-[(4-chlorophenyl)sulfonyl-methylamino]benzamide
CID 2966578
N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide
CID 2464580
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933
4-[dimethylsulfamoyl(methyl)amino]-N-(4-propan-2-ylphenyl)benzamide
CID 53283134
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 18891082
4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043380
N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 30849036

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide (CID 92664148) is N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide is COc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The InChIKey is MYBIGAGLMIHLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-20(2)26(23,24)21(3)14-8-5-12(6-9-14)17(22)19-13-7-10-16(25-4)15(18)11-13/h5-11H,1-4H3,(H,19,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide?
N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide has a molecular weight of 397.88 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide is sourced from PubChem (CID 92664148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).