chloro 5-acetamidonaphthalene-1-sulfonate

C12H10ClNO4S — CID 141053746

IUPACchloro 5-acetamidonaphthalene-1-sulfonate
SMILESCC(=O)Nc1cccc2c(S(=O)(=O)OCl)cccc12
InChIInChI=1S/C12H10ClNO4S/c1-8(15)14-11-6-2-5-10-9(11)4-3-7-12(10)19(16,17)18-13/h2-7H,1H3,(H,14,15)
InChIKeyFUUMREKZQWTTKN-UHFFFAOYSA-N
MW299.74 g/mol
LogP2.66
Rot. Bonds3

About chloro 5-acetamidonaphthalene-1-sulfonate

chloro 5-acetamidonaphthalene-1-sulfonate (PubChem CID 141053746) has the molecular formula C12H10ClNO4S and a molecular weight of 299.74 g/mol. Its IUPAC name is chloro 5-acetamidonaphthalene-1-sulfonate.

Molecular Properties

Compound Namechloro 5-acetamidonaphthalene-1-sulfonate
PubChem CID141053746
Molecular FormulaC12H10ClNO4S
Molecular Weight299.74 g/mol
Exact Mass299.00
IUPAC Namechloro 5-acetamidonaphthalene-1-sulfonate
SMILESCC(=O)Nc1cccc2c(S(=O)(=O)OCl)cccc12
InChIInChI=1S/C12H10ClNO4S/c1-8(15)14-11-6-2-5-10-9(11)4-3-7-12(10)19(16,17)18-13/h2-7H,1H3,(H,14,15)
InChIKeyFUUMREKZQWTTKN-UHFFFAOYSA-N
XLogP2.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-sulfamoylnaphthalen-1-yl)acetamide
CID 3403698
N-[5-[(2-chlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048605
N-[5-(cyclohexylmethylsulfamoyl)naphthalen-1-yl]acetamide
CID 69047545
N-[3-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide
CID 101305288
N-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69118403
N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048670
[4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid
CID 69028182
N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide
CID 146763683
N-[6-(dimethylsulfamoyl)-5-hydroxynaphthalen-1-yl]acetamide
CID 91728656
N-[5-[(5-bromopyrazin-2-yl)sulfamoyl]naphthalen-1-yl]acetamide
CID 18704801
tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate
CID 11739198
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667

Frequently Asked Questions

What is the IUPAC name of chloro 5-acetamidonaphthalene-1-sulfonate?
The IUPAC name of chloro 5-acetamidonaphthalene-1-sulfonate (CID 141053746) is chloro 5-acetamidonaphthalene-1-sulfonate.
What is the SMILES notation for chloro 5-acetamidonaphthalene-1-sulfonate?
The canonical SMILES for chloro 5-acetamidonaphthalene-1-sulfonate is CC(=O)Nc1cccc2c(S(=O)(=O)OCl)cccc12.
What is the InChIKey of chloro 5-acetamidonaphthalene-1-sulfonate?
The InChIKey is FUUMREKZQWTTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4S/c1-8(15)14-11-6-2-5-10-9(11)4-3-7-12(10)19(16,17)18-13/h2-7H,1H3,(H,14,15).
What are the key properties of chloro 5-acetamidonaphthalene-1-sulfonate?
chloro 5-acetamidonaphthalene-1-sulfonate has a molecular weight of 299.74 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 5-acetamidonaphthalene-1-sulfonate is sourced from PubChem (CID 141053746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).