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

C24H28ClN2O2S- — CID 53350941

IUPACN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride
SMILESCN(Cc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1.[Cl-]
InChIInChI=1S/C24H28N2O2S.ClH/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;1H/p-1
InChIKeyCDVYJHUEPSRWBB-UHFFFAOYSA-M
MW444.02 g/mol
LogP2.41
Rot. Bonds6

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

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride (PubChem CID 53350941) has the molecular formula C24H28ClN2O2S- and a molecular weight of 444.02 g/mol. Its IUPAC name is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride.

Molecular Properties

Compound NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride
PubChem CID53350941
Molecular FormulaC24H28ClN2O2S-
Molecular Weight444.02 g/mol
Exact Mass443.16
IUPAC NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride
SMILESCN(Cc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1.[Cl-]
InChIInChI=1S/C24H28N2O2S.ClH/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;1H/p-1
InChIKeyCDVYJHUEPSRWBB-UHFFFAOYSA-M
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.02
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide
CID 2470223
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 chloride?
The IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride (CID 53350941) is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride.
What is the SMILES notation for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride?
The canonical SMILES for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride is CN(Cc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1.[Cl-].
What is the InChIKey of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride?
The InChIKey is CDVYJHUEPSRWBB-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H28N2O2S.ClH/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;1H/p-1.
What are the key properties of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride?
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride has a molecular weight of 444.02 g/mol, XLogP of 2.41, 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 chloride is sourced from PubChem (CID 53350941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).