N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide

C24H28N2O2S — CID 2470223

IUPACN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide
SMILESCN(Cc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1
InChIInChI=1S/C24H28N2O2S/c1-26(22-12-3-2-4-13-22)18-21-11-7-8-14-24(21)25-29(27,28)23-16-15-19-9-5-6-10-20(19)17-23/h5-11,14-17,22,25H,2-4,12-13,18H2,1H3
InChIKeyVNTYXCYNSOBNHH-UHFFFAOYSA-N
MW408.57 g/mol
LogP5.41
Rot. Bonds6

About N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide (PubChem CID 2470223) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide
PubChem CID2470223
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide
SMILESCN(Cc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1
InChIInChI=1S/C24H28N2O2S/c1-26(22-12-3-2-4-13-22)18-21-11-7-8-14-24(21)25-29(27,28)23-16-15-19-9-5-6-10-20(19)17-23/h5-11,14-17,22,25H,2-4,12-13,18H2,1H3
InChIKeyVNTYXCYNSOBNHH-UHFFFAOYSA-N
XLogP5.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride
CID 53350941
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide
CID 36575306
4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
CID 33332114
3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
CID 36575327
methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 36575546
methyl 3-chloro-4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 52857530
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
N-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide
CID 4531956
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 46554834
cis-(1S,2R)-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 166254818
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 18146366

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide (CID 2470223) is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide is CN(Cc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1.
What is the InChIKey of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide?
The InChIKey is VNTYXCYNSOBNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-26(22-12-3-2-4-13-22)18-21-11-7-8-14-24(21)25-29(27,28)23-16-15-19-9-5-6-10-20(19)17-23/h5-11,14-17,22,25H,2-4,12-13,18H2,1H3.
What are the key properties of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide?
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide has a molecular weight of 408.57 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 2470223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).