N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide

C17H18Cl2N2O4S — CID 40742127

IUPACN-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C17H18Cl2N2O4S/c1-10(2)21-26(23,24)16-8-11(4-7-15(16)25-3)17(22)20-14-9-12(18)5-6-13(14)19/h4-10,21H,1-3H3,(H,20,22)
InChIKeyGAAOOYAEKROJAX-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.94
Rot. Bonds6

About N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide

N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 40742127) has the molecular formula C17H18Cl2N2O4S and a molecular weight of 417.31 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID40742127
Molecular FormulaC17H18Cl2N2O4S
Molecular Weight417.31 g/mol
Exact Mass416.04
IUPAC NameN-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C17H18Cl2N2O4S/c1-10(2)21-26(23,24)16-8-11(4-7-15(16)25-3)17(22)20-14-9-12(18)5-6-13(14)19/h4-10,21H,1-3H3,(H,20,22)
InChIKeyGAAOOYAEKROJAX-UHFFFAOYSA-N
XLogP3.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676
4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114
3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016572
(2R)-N-(2,5-dichlorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 124548996
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 16601749
methyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate
CID 56543378
4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55888443
N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide
CID 26086200
4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 16594690
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26582501
N-(4-bromo-2,6-dimethylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 100795511
N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119419366

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide (CID 40742127) is N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide is COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is GAAOOYAEKROJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4S/c1-10(2)21-26(23,24)16-8-11(4-7-15(16)25-3)17(22)20-14-9-12(18)5-6-13(14)19/h4-10,21H,1-3H3,(H,20,22).
What are the key properties of N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 417.31 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 40742127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).