5-chloro-N-[2-(diethylamino)ethyl]-2-methyl-4-(naphthalen-1-ylsulfonylamino)benzamide

C24H28ClN3O3S — CID 21133017

IUPAC5-chloro-N-[2-(diethylamino)ethyl]-2-methyl-4-(naphthalen-1-ylsulfonylamino)benzamide
SMILESCCN(CC)CCNC(=O)c1cc(Cl)c(NS(=O)(=O)c2cccc3ccccc23)cc1C
InChIInChI=1S/C24H28ClN3O3S/c1-4-28(5-2)14-13-26-24(29)20-16-21(25)22(15-17(20)3)27-32(30,31)23-12-8-10-18-9-6-7-11-19(18)23/h6-12,15-16,27H,4-5,13-14H2,1-3H3,(H,26,29)
InChIKeySLCUAUSEBFIZSI-UHFFFAOYSA-N
MW474.03 g/mol
LogP4.67
Rot. Bonds9

About 5-chloro-N-[2-(diethylamino)ethyl]-2-methyl-4-(naphthalen-1-ylsulfonylamino)benzamide

5-chloro-N-[2-(diethylamino)ethyl]-2-methyl-4-(naphthalen-1-ylsulfonylamino)benzamide (PubChem CID 21133017) has the molecular formula C24H28ClN3O3S and a molecular weight of 474.03 g/mol. Its IUPAC name is 5-chloro-N-[2-(diethylamino)ethyl]-2-methyl-4-(naphthalen-1-ylsulfonylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(diethylamino)ethyl]-2-methyl-4-(naphthalen-1-ylsulfonylamino)benzamide
PubChem CID21133017
Molecular FormulaC24H28ClN3O3S
Molecular Weight474.03 g/mol
Exact Mass473.15
IUPAC Name5-chloro-N-[2-(diethylamino)ethyl]-2-methyl-4-(naphthalen-1-ylsulfonylamino)benzamide
SMILESCCN(CC)CCNC(=O)c1cc(Cl)c(NS(=O)(=O)c2cccc3ccccc23)cc1C
InChIInChI=1S/C24H28ClN3O3S/c1-4-28(5-2)14-13-26-24(29)20-16-21(25)22(15-17(20)3)27-32(30,31)23-12-8-10-18-9-6-7-11-19(18)23/h6-12,15-16,27H,4-5,13-14H2,1-3H3,(H,26,29)
InChIKeySLCUAUSEBFIZSI-UHFFFAOYSA-N
XLogP4.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.03
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide
CID 22888906
N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide
CID 54255975
N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55659290
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
CID 21331733
2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
CID 142825813
2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide
CID 2308981
N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide
CID 3863600
N-[2-(diethylamino)ethyl]-1-methylacridine-4-carboxamide
CID 59228677
2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide
CID 17144545
N-[5-(diethylamino)pentyl]naphthalene-1-carboxamide
CID 110440172
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(diethylamino)ethyl]-2-methyl-4-(naphthalen-1-ylsulfonylamino)benzamide?
The IUPAC name of 5-chloro-N-[2-(diethylamino)ethyl]-2-methyl-4-(naphthalen-1-ylsulfonylamino)benzamide (CID 21133017) is 5-chloro-N-[2-(diethylamino)ethyl]-2-methyl-4-(naphthalen-1-ylsulfonylamino)benzamide.
What is the SMILES notation for 5-chloro-N-[2-(diethylamino)ethyl]-2-methyl-4-(naphthalen-1-ylsulfonylamino)benzamide?
The canonical SMILES for 5-chloro-N-[2-(diethylamino)ethyl]-2-methyl-4-(naphthalen-1-ylsulfonylamino)benzamide is CCN(CC)CCNC(=O)c1cc(Cl)c(NS(=O)(=O)c2cccc3ccccc23)cc1C.
What is the InChIKey of 5-chloro-N-[2-(diethylamino)ethyl]-2-methyl-4-(naphthalen-1-ylsulfonylamino)benzamide?
The InChIKey is SLCUAUSEBFIZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3S/c1-4-28(5-2)14-13-26-24(29)20-16-21(25)22(15-17(20)3)27-32(30,31)23-12-8-10-18-9-6-7-11-19(18)23/h6-12,15-16,27H,4-5,13-14H2,1-3H3,(H,26,29).
What are the key properties of 5-chloro-N-[2-(diethylamino)ethyl]-2-methyl-4-(naphthalen-1-ylsulfonylamino)benzamide?
5-chloro-N-[2-(diethylamino)ethyl]-2-methyl-4-(naphthalen-1-ylsulfonylamino)benzamide has a molecular weight of 474.03 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(diethylamino)ethyl]-2-methyl-4-(naphthalen-1-ylsulfonylamino)benzamide is sourced from PubChem (CID 21133017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).