8-(propylsulfonylamino)naphthalene-1-carboxylic acid

C14H15NO4S — CID 71683584

IUPAC8-(propylsulfonylamino)naphthalene-1-carboxylic acid
SMILESCCCS(=O)(=O)Nc1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C14H15NO4S/c1-2-9-20(18,19)15-12-8-4-6-10-5-3-7-11(13(10)12)14(16)17/h3-8,15H,2,9H2,1H3,(H,16,17)
InChIKeyXAZKTCIYFJNKQN-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.69
Rot. Bonds5

About 8-(propylsulfonylamino)naphthalene-1-carboxylic acid

8-(propylsulfonylamino)naphthalene-1-carboxylic acid (PubChem CID 71683584) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 8-(propylsulfonylamino)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-(propylsulfonylamino)naphthalene-1-carboxylic acid
PubChem CID71683584
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name8-(propylsulfonylamino)naphthalene-1-carboxylic acid
SMILESCCCS(=O)(=O)Nc1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C14H15NO4S/c1-2-9-20(18,19)15-12-8-4-6-10-5-3-7-11(13(10)12)14(16)17/h3-8,15H,2,9H2,1H3,(H,16,17)
InChIKeyXAZKTCIYFJNKQN-UHFFFAOYSA-N
XLogP2.69
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(butylsulfonylamino)-2-methylbenzoic acid
CID 62033878
8-acetamidonaphthalene-1-carboxylic acid
CID 163232881
8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid
CID 2432126
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide
CID 24693382
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
3-(3-chloropropylsulfonylamino)-2-methylbenzoic acid
CID 54877288
(2S)-2-[[2-(propylsulfonylamino)benzoyl]amino]propanoic acid
CID 119943359
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
N-(8-amino-7-hydroxynaphthalen-1-yl)hexadecane-1-sulfonamide
CID 54275719
2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid
CID 120523197
N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide
CID 2448345
N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide
CID 47104367

Frequently Asked Questions

What is the IUPAC name of 8-(propylsulfonylamino)naphthalene-1-carboxylic acid?
The IUPAC name of 8-(propylsulfonylamino)naphthalene-1-carboxylic acid (CID 71683584) is 8-(propylsulfonylamino)naphthalene-1-carboxylic acid.
What is the SMILES notation for 8-(propylsulfonylamino)naphthalene-1-carboxylic acid?
The canonical SMILES for 8-(propylsulfonylamino)naphthalene-1-carboxylic acid is CCCS(=O)(=O)Nc1cccc2cccc(C(=O)O)c12.
What is the InChIKey of 8-(propylsulfonylamino)naphthalene-1-carboxylic acid?
The InChIKey is XAZKTCIYFJNKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-2-9-20(18,19)15-12-8-4-6-10-5-3-7-11(13(10)12)14(16)17/h3-8,15H,2,9H2,1H3,(H,16,17).
What are the key properties of 8-(propylsulfonylamino)naphthalene-1-carboxylic acid?
8-(propylsulfonylamino)naphthalene-1-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(propylsulfonylamino)naphthalene-1-carboxylic acid is sourced from PubChem (CID 71683584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).