N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide

C22H28N2O3S — CID 25342365

IUPACN-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C22H28N2O3S/c1-16-13-14-19(28(26,27)24-21-12-8-7-9-17(21)2)15-20(16)22(25)23-18-10-5-3-4-6-11-18/h7-9,12-15,18,24H,3-6,10-11H2,1-2H3,(H,23,25)
InChIKeyYRDWJLPXVDJXCS-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.56
Rot. Bonds5

About N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide

N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 25342365) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID25342365
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C22H28N2O3S/c1-16-13-14-19(28(26,27)24-21-12-8-7-9-17(21)2)15-20(16)22(25)23-18-10-5-3-4-6-11-18/h7-9,12-15,18,24H,3-6,10-11H2,1-2H3,(H,23,25)
InChIKeyYRDWJLPXVDJXCS-UHFFFAOYSA-N
XLogP4.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26693958
N-cyclohexyl-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 26534981
N-cyclohexyl-2-methyl-5-(2-methylpropylsulfamoyl)benzamide
CID 3877568
N-cyclopentyl-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2223474
2-(benzenesulfonamido)-N-cycloheptylbenzamide
CID 126412627
3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide
CID 19062588
3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide
CID 19062561
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25470615
1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea
CID 19678760
N-[4-(cyclopropylcarbamoylamino)phenyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 55535256
N-cyclopentyl-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062446

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide (CID 25342365) is N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is YRDWJLPXVDJXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-16-13-14-19(28(26,27)24-21-12-8-7-9-17(21)2)15-20(16)22(25)23-18-10-5-3-4-6-11-18/h7-9,12-15,18,24H,3-6,10-11H2,1-2H3,(H,23,25).
What are the key properties of N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 400.54 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 25342365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).