N-hydroxy-8-(5-methylnaphthalen-1-yl)sulfonyloctanamide

C19H25NO4S — CID 59620667

IUPACN-hydroxy-8-(5-methylnaphthalen-1-yl)sulfonyloctanamide
SMILESCc1cccc2c(S(=O)(=O)CCCCCCCC(=O)NO)cccc12
InChIInChI=1S/C19H25NO4S/c1-15-9-7-11-17-16(15)10-8-12-18(17)25(23,24)14-6-4-2-3-5-13-19(21)20-22/h7-12,22H,2-6,13-14H2,1H3,(H,20,21)
InChIKeyFDHZHMBNNUAAPL-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.77
Rot. Bonds9

About N-hydroxy-8-(5-methylnaphthalen-1-yl)sulfonyloctanamide

N-hydroxy-8-(5-methylnaphthalen-1-yl)sulfonyloctanamide (PubChem CID 59620667) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-hydroxy-8-(5-methylnaphthalen-1-yl)sulfonyloctanamide.

Molecular Properties

Compound NameN-hydroxy-8-(5-methylnaphthalen-1-yl)sulfonyloctanamide
PubChem CID59620667
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-hydroxy-8-(5-methylnaphthalen-1-yl)sulfonyloctanamide
SMILESCc1cccc2c(S(=O)(=O)CCCCCCCC(=O)NO)cccc12
InChIInChI=1S/C19H25NO4S/c1-15-9-7-11-17-16(15)10-8-12-18(17)25(23,24)14-6-4-2-3-5-13-19(21)20-22/h7-12,22H,2-6,13-14H2,1H3,(H,20,21)
InChIKeyFDHZHMBNNUAAPL-UHFFFAOYSA-N
XLogP3.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2-methylphenyl)sulfonylhexan-2-one
CID 64638073
N-hydroxy-8-[methyl(phenyl)sulfamoyl]octanamide
CID 10131480
ethane;N-hydroxy-7-methylsulfonylheptanamide
CID 143645971
6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyheptanamide
CID 87562715
1-(6-bromohexylsulfonyl)-2-methylbenzene
CID 67518368
calcium bis(5-methylnaphthalene-1-sulfonate)
CID 101317270
3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide
CID 9489077
3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide
CID 142683354
4-(2-aminophenyl)sulfonyl-N-methylbutanamide
CID 63889973
6-(2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-hydroxyhexanamide
CID 50898508
5-(11-methoxyundecylsulfonyl)-N,N-dimethylnaphthalen-1-amine
CID 58247277
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-8-(5-methylnaphthalen-1-yl)sulfonyloctanamide?
The IUPAC name of N-hydroxy-8-(5-methylnaphthalen-1-yl)sulfonyloctanamide (CID 59620667) is N-hydroxy-8-(5-methylnaphthalen-1-yl)sulfonyloctanamide.
What is the SMILES notation for N-hydroxy-8-(5-methylnaphthalen-1-yl)sulfonyloctanamide?
The canonical SMILES for N-hydroxy-8-(5-methylnaphthalen-1-yl)sulfonyloctanamide is Cc1cccc2c(S(=O)(=O)CCCCCCCC(=O)NO)cccc12.
What is the InChIKey of N-hydroxy-8-(5-methylnaphthalen-1-yl)sulfonyloctanamide?
The InChIKey is FDHZHMBNNUAAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-15-9-7-11-17-16(15)10-8-12-18(17)25(23,24)14-6-4-2-3-5-13-19(21)20-22/h7-12,22H,2-6,13-14H2,1H3,(H,20,21).
What are the key properties of N-hydroxy-8-(5-methylnaphthalen-1-yl)sulfonyloctanamide?
N-hydroxy-8-(5-methylnaphthalen-1-yl)sulfonyloctanamide has a molecular weight of 363.48 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-(5-methylnaphthalen-1-yl)sulfonyloctanamide is sourced from PubChem (CID 59620667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).