2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide

C20H25ClN2O4S — CID 55894371

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide
SMILESCC(C)COc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-14(2)13-27-16-7-5-15(6-8-16)12-22-20(24)18-11-17(9-10-19(18)21)28(25,26)23(3)4/h5-11,14H,12-13H2,1-4H3,(H,22,24)
InChIKeyBIVRRNVQYDPGGD-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.56
Rot. Bonds8

About 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide

2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide (PubChem CID 55894371) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide
PubChem CID55894371
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide
SMILESCC(C)COc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-14(2)13-27-16-7-5-15(6-8-16)12-22-20(24)18-11-17(9-10-19(18)21)28(25,26)23(3)4/h5-11,14H,12-13H2,1-4H3,(H,22,24)
InChIKeyBIVRRNVQYDPGGD-UHFFFAOYSA-N
XLogP3.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
CID 24514466
N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387544
2-chloro-N-[4-(4-chlorophenoxy)butyl]-5-(dimethylsulfamoyl)benzamide
CID 16567613
2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide
CID 32612809
2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide
CID 30839055
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26119216
2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 14715683
2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713234
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide
CID 30860063
2-(4-chlorophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 30125973
N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110356795

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide (CID 55894371) is 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide is CC(C)COc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide?
The InChIKey is BIVRRNVQYDPGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-14(2)13-27-16-7-5-15(6-8-16)12-22-20(24)18-11-17(9-10-19(18)21)28(25,26)23(3)4/h5-11,14H,12-13H2,1-4H3,(H,22,24).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide has a molecular weight of 424.95 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55894371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).