5-(1-adamantylmethylsulfamoyl)-N-benzyl-2,4-dichlorobenzamide

C25H28Cl2N2O3S — CID 5301035

IUPAC5-(1-adamantylmethylsulfamoyl)-N-benzyl-2,4-dichlorobenzamide
SMILESO=C(NCc1ccccc1)c1cc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1Cl
InChIInChI=1S/C25H28Cl2N2O3S/c26-21-10-22(27)23(9-20(21)24(30)28-14-16-4-2-1-3-5-16)33(31,32)29-15-25-11-17-6-18(12-25)8-19(7-17)13-25/h1-5,9-10,17-19,29H,6-8,11-15H2,(H,28,30)
InChIKeyGAYFSMOKSTZWSM-UHFFFAOYSA-N
MW507.48 g/mol
LogP5.42
Rot. Bonds7

About 5-(1-adamantylmethylsulfamoyl)-N-benzyl-2,4-dichlorobenzamide

5-(1-adamantylmethylsulfamoyl)-N-benzyl-2,4-dichlorobenzamide (PubChem CID 5301035) has the molecular formula C25H28Cl2N2O3S and a molecular weight of 507.48 g/mol. Its IUPAC name is 5-(1-adamantylmethylsulfamoyl)-N-benzyl-2,4-dichlorobenzamide.

Molecular Properties

Compound Name5-(1-adamantylmethylsulfamoyl)-N-benzyl-2,4-dichlorobenzamide
PubChem CID5301035
Molecular FormulaC25H28Cl2N2O3S
Molecular Weight507.48 g/mol
Exact Mass506.12
IUPAC Name5-(1-adamantylmethylsulfamoyl)-N-benzyl-2,4-dichlorobenzamide
SMILESO=C(NCc1ccccc1)c1cc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1Cl
InChIInChI=1S/C25H28Cl2N2O3S/c26-21-10-22(27)23(9-20(21)24(30)28-14-16-4-2-1-3-5-16)33(31,32)29-15-25-11-17-6-18(12-25)8-19(7-17)13-25/h1-5,9-10,17-19,29H,6-8,11-15H2,(H,28,30)
InChIKeyGAYFSMOKSTZWSM-UHFFFAOYSA-N
XLogP5.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.48
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17497716
2,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-[(3-methyl-1-adamantyl)methyl]benzamide
CID 167888579
N-[2-(1-adamantyl)ethyl]-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 4919001
3-(1-adamantylmethylcarbamoyl)-4-chlorobenzoic acid
CID 18381486
N-(1-adamantylmethyl)benzenesulfonamide
CID 22206704
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide
CID 24891141
2,4-dichloro-5-(2-methylpropylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78785955
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
CID 19257505
N-(1-adamantylmethyl)-2-bromobenzenesulfonamide
CID 3687690
2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide
CID 24680795
N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide
CID 20670042

Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantylmethylsulfamoyl)-N-benzyl-2,4-dichlorobenzamide?
The IUPAC name of 5-(1-adamantylmethylsulfamoyl)-N-benzyl-2,4-dichlorobenzamide (CID 5301035) is 5-(1-adamantylmethylsulfamoyl)-N-benzyl-2,4-dichlorobenzamide.
What is the SMILES notation for 5-(1-adamantylmethylsulfamoyl)-N-benzyl-2,4-dichlorobenzamide?
The canonical SMILES for 5-(1-adamantylmethylsulfamoyl)-N-benzyl-2,4-dichlorobenzamide is O=C(NCc1ccccc1)c1cc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1Cl.
What is the InChIKey of 5-(1-adamantylmethylsulfamoyl)-N-benzyl-2,4-dichlorobenzamide?
The InChIKey is GAYFSMOKSTZWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N2O3S/c26-21-10-22(27)23(9-20(21)24(30)28-14-16-4-2-1-3-5-16)33(31,32)29-15-25-11-17-6-18(12-25)8-19(7-17)13-25/h1-5,9-10,17-19,29H,6-8,11-15H2,(H,28,30).
What are the key properties of 5-(1-adamantylmethylsulfamoyl)-N-benzyl-2,4-dichlorobenzamide?
5-(1-adamantylmethylsulfamoyl)-N-benzyl-2,4-dichlorobenzamide has a molecular weight of 507.48 g/mol, XLogP of 5.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantylmethylsulfamoyl)-N-benzyl-2,4-dichlorobenzamide is sourced from PubChem (CID 5301035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).