N-[6-(dimethylsulfamoyl)-5-hydroxynaphthalen-1-yl]acetamide

C14H16N2O4S — CID 91728656

IUPACN-[6-(dimethylsulfamoyl)-5-hydroxynaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c(O)c(S(=O)(=O)N(C)C)ccc12
InChIInChI=1S/C14H16N2O4S/c1-9(17)15-12-6-4-5-11-10(12)7-8-13(14(11)18)21(19,20)16(2)3/h4-8,18H,1-3H3,(H,15,17)
InChIKeyCEROGYQBZDPTAX-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.75
Rot. Bonds3

About N-[6-(dimethylsulfamoyl)-5-hydroxynaphthalen-1-yl]acetamide

N-[6-(dimethylsulfamoyl)-5-hydroxynaphthalen-1-yl]acetamide (PubChem CID 91728656) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[6-(dimethylsulfamoyl)-5-hydroxynaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-(dimethylsulfamoyl)-5-hydroxynaphthalen-1-yl]acetamide
PubChem CID91728656
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-[6-(dimethylsulfamoyl)-5-hydroxynaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c(O)c(S(=O)(=O)N(C)C)ccc12
InChIInChI=1S/C14H16N2O4S/c1-9(17)15-12-6-4-5-11-10(12)7-8-13(14(11)18)21(19,20)16(2)3/h4-8,18H,1-3H3,(H,15,17)
InChIKeyCEROGYQBZDPTAX-UHFFFAOYSA-N
XLogP1.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-5-(ethylamino)-1-hydroxynaphthalene-2-carboxamide;5-(ethylamino)-1-hydroxy-N,N-dimethylnaphthalene-2-sulfonamide
CID 91446515
N-(5-sulfamoylnaphthalen-1-yl)acetamide
CID 3403698
chloro 5-acetamidonaphthalene-1-sulfonate
CID 141053746
5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane
CID 159593175
1-N,1-N,5-N-trimethylnaphthalene-1,5-disulfonamide
CID 54107174
3-[[5-hydroxy-6-(methylsulfamoyl)naphthalen-1-yl]sulfamoyl]benzenesulfonyl fluoride
CID 57071589
4-(dimethylsulfamoyl)-N-(4-hydroxynaphthalen-1-yl)benzamide
CID 17460385
2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide
CID 9084353
N-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide
CID 163702542
N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048670
N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide
CID 64590909
4-[3-(dimethylsulfamoyl)-2-hydroxyanilino]-1,1,3-trioxo-1,2-thiazole-5-carboxamide
CID 58597584

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylsulfamoyl)-5-hydroxynaphthalen-1-yl]acetamide?
The IUPAC name of N-[6-(dimethylsulfamoyl)-5-hydroxynaphthalen-1-yl]acetamide (CID 91728656) is N-[6-(dimethylsulfamoyl)-5-hydroxynaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[6-(dimethylsulfamoyl)-5-hydroxynaphthalen-1-yl]acetamide?
The canonical SMILES for N-[6-(dimethylsulfamoyl)-5-hydroxynaphthalen-1-yl]acetamide is CC(=O)Nc1cccc2c(O)c(S(=O)(=O)N(C)C)ccc12.
What is the InChIKey of N-[6-(dimethylsulfamoyl)-5-hydroxynaphthalen-1-yl]acetamide?
The InChIKey is CEROGYQBZDPTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-9(17)15-12-6-4-5-11-10(12)7-8-13(14(11)18)21(19,20)16(2)3/h4-8,18H,1-3H3,(H,15,17).
What are the key properties of N-[6-(dimethylsulfamoyl)-5-hydroxynaphthalen-1-yl]acetamide?
N-[6-(dimethylsulfamoyl)-5-hydroxynaphthalen-1-yl]acetamide has a molecular weight of 308.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylsulfamoyl)-5-hydroxynaphthalen-1-yl]acetamide is sourced from PubChem (CID 91728656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).