N-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide

C20H23N3O2S — CID 55729077

IUPACN-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide
SMILESCCN(CC)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C20H23N3O2S/c1-3-23(4-2)20-12-9-16(14-21-20)15-22-26(24,25)19-11-10-17-7-5-6-8-18(17)13-19/h5-14,22H,3-4,15H2,1-2H3
InChIKeyJUGGTNHRFWHDHK-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.56
Rot. Bonds7

About N-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide

N-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide (PubChem CID 55729077) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide
PubChem CID55729077
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide
SMILESCCN(CC)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C20H23N3O2S/c1-3-23(4-2)20-12-9-16(14-21-20)15-22-26(24,25)19-11-10-17-7-5-6-8-18(17)13-19/h5-14,22H,3-4,15H2,1-2H3
InChIKeyJUGGTNHRFWHDHK-UHFFFAOYSA-N
XLogP3.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55729172
N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide
CID 3780847
3-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzene-1,3-disulfonamide
CID 55627731
methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate
CID 9324257
N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562
5-(tert-butylsulfamoyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylbenzamide
CID 55743450
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
2-[ethyl-[2-(naphthalen-2-ylsulfonylamino)ethyl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 143330913
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide
CID 55964932
N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide
CID 110443097
N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide
CID 8574875
N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide
CID 49459732

Frequently Asked Questions

What is the IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide (CID 55729077) is N-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide is CCN(CC)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cn1.
What is the InChIKey of N-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide?
The InChIKey is JUGGTNHRFWHDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-3-23(4-2)20-12-9-16(14-21-20)15-22-26(24,25)19-11-10-17-7-5-6-8-18(17)13-19/h5-14,22H,3-4,15H2,1-2H3.
What are the key properties of N-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide?
N-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 55729077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).