3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide

C19H22Cl2N2O4S — CID 43016572

IUPAC3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
SMILESCOc1ccc(C(=O)NC(C)C(C)C)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H22Cl2N2O4S/c1-11(2)12(3)22-19(24)13-5-8-17(27-4)18(9-13)28(25,26)23-16-10-14(20)6-7-15(16)21/h5-12,23H,1-4H3,(H,22,24)
InChIKeyKRTSRYSHQQELAZ-UHFFFAOYSA-N
MW445.37 g/mol
LogP4.58
Rot. Bonds7

About 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide

3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide (PubChem CID 43016572) has the molecular formula C19H22Cl2N2O4S and a molecular weight of 445.37 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
PubChem CID43016572
Molecular FormulaC19H22Cl2N2O4S
Molecular Weight445.37 g/mol
Exact Mass444.07
IUPAC Name3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
SMILESCOc1ccc(C(=O)NC(C)C(C)C)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H22Cl2N2O4S/c1-11(2)12(3)22-19(24)13-5-8-17(27-4)18(9-13)28(25,26)23-16-10-14(20)6-7-15(16)21/h5-12,23H,1-4H3,(H,22,24)
InChIKeyKRTSRYSHQQELAZ-UHFFFAOYSA-N
XLogP4.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 40742127
N-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide
CID 2110113
3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016571
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate
CID 2481604
N-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide
CID 4781795
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26582501
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate
CID 95036267
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
N-[1-(2-chlorophenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 51163493
4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 30398276
5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide (CID 43016572) is 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide is COc1ccc(C(=O)NC(C)C(C)C)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is KRTSRYSHQQELAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S/c1-11(2)12(3)22-19(24)13-5-8-17(27-4)18(9-13)28(25,26)23-16-10-14(20)6-7-15(16)21/h5-12,23H,1-4H3,(H,22,24).
What are the key properties of 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide?
3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 445.37 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 43016572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).