3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide

C22H28N2O3S — CID 36575327

IUPAC3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccccc2CN(C)C2CCCCC2)c1
InChIInChI=1S/C22H28N2O3S/c1-17(25)18-10-8-13-21(15-18)28(26,27)23-22-14-7-6-9-19(22)16-24(2)20-11-4-3-5-12-20/h6-10,13-15,20,23H,3-5,11-12,16H2,1-2H3
InChIKeyWWDBIMCTJPSVGN-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.45
Rot. Bonds7

About 3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide

3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide (PubChem CID 36575327) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
PubChem CID36575327
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccccc2CN(C)C2CCCCC2)c1
InChIInChI=1S/C22H28N2O3S/c1-17(25)18-10-8-13-21(15-18)28(26,27)23-22-14-7-6-9-19(22)16-24(2)20-11-4-3-5-12-20/h6-10,13-15,20,23H,3-5,11-12,16H2,1-2H3
InChIKeyWWDBIMCTJPSVGN-UHFFFAOYSA-N
XLogP4.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 36575546
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide
CID 2470223
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride
CID 53350941
4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
CID 33332114
methyl 3-chloro-4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 52857530
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide
CID 36575306
3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 55645265
N-cyclohexyl-N-cyclopropyl-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 47074499
N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55871483
3-acetyl-N-(2-benzylsulfanylphenyl)benzenesulfonamide
CID 8824193
cis-(1S,2R)-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 166254818
3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide
CID 51089499

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide (CID 36575327) is 3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2CN(C)C2CCCCC2)c1.
What is the InChIKey of 3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide?
The InChIKey is WWDBIMCTJPSVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-17(25)18-10-8-13-21(15-18)28(26,27)23-22-14-7-6-9-19(22)16-24(2)20-11-4-3-5-12-20/h6-10,13-15,20,23H,3-5,11-12,16H2,1-2H3.
What are the key properties of 3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide?
3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide has a molecular weight of 400.54 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 36575327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).