N-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide

C19H16Cl2N2O3S — CID 69118403

IUPACN-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c(S(=O)(=O)NCc3ccc(Cl)c(Cl)c3)cccc12
InChIInChI=1S/C19H16Cl2N2O3S/c1-12(24)23-18-6-2-5-15-14(18)4-3-7-19(15)27(25,26)22-11-13-8-9-16(20)17(21)10-13/h2-10,22H,11H2,1H3,(H,23,24)
InChIKeyQRUCGMUUGJIYIS-UHFFFAOYSA-N
MW423.32 g/mol
LogP4.58
Rot. Bonds5

About N-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide

N-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide (PubChem CID 69118403) has the molecular formula C19H16Cl2N2O3S and a molecular weight of 423.32 g/mol. Its IUPAC name is N-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
PubChem CID69118403
Molecular FormulaC19H16Cl2N2O3S
Molecular Weight423.32 g/mol
Exact Mass422.03
IUPAC NameN-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c(S(=O)(=O)NCc3ccc(Cl)c(Cl)c3)cccc12
InChIInChI=1S/C19H16Cl2N2O3S/c1-12(24)23-18-6-2-5-15-14(18)4-3-7-19(15)27(25,26)22-11-13-8-9-16(20)17(21)10-13/h2-10,22H,11H2,1H3,(H,23,24)
InChIKeyQRUCGMUUGJIYIS-UHFFFAOYSA-N
XLogP4.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048670
N-[5-[(2-chlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048605
N-[5-(cyclohexylmethylsulfamoyl)naphthalen-1-yl]acetamide
CID 69047545
[4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid
CID 69028182
N-(5-sulfamoylnaphthalen-1-yl)acetamide
CID 3403698
chloro 5-acetamidonaphthalene-1-sulfonate
CID 141053746
N-[2-chloro-4-[(3-chlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 5016142
methyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate
CID 5017680
N-[5-[[1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazolidin-3-yl]methylsulfamoyl]naphthalen-1-yl]acetamide
CID 143654790
1-N,3-N-bis[(3,4-dichlorophenyl)methyl]-4-methoxybenzene-1,3-disulfonamide
CID 141131546
N-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide
CID 10149841
N-[5-[(5-bromopyrazin-2-yl)sulfamoyl]naphthalen-1-yl]acetamide
CID 18704801

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide?
The IUPAC name of N-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide (CID 69118403) is N-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide.
What is the SMILES notation for N-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide?
The canonical SMILES for N-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide is CC(=O)Nc1cccc2c(S(=O)(=O)NCc3ccc(Cl)c(Cl)c3)cccc12.
What is the InChIKey of N-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide?
The InChIKey is QRUCGMUUGJIYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3S/c1-12(24)23-18-6-2-5-15-14(18)4-3-7-19(15)27(25,26)22-11-13-8-9-16(20)17(21)10-13/h2-10,22H,11H2,1H3,(H,23,24).
What are the key properties of N-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide?
N-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide has a molecular weight of 423.32 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide is sourced from PubChem (CID 69118403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).