N-(3-methoxyphenyl)nonane-1-sulfonamide

C16H27NO3S — CID 43833954

IUPACN-(3-methoxyphenyl)nonane-1-sulfonamide
SMILESCCCCCCCCCS(=O)(=O)Nc1cccc(OC)c1
InChIInChI=1S/C16H27NO3S/c1-3-4-5-6-7-8-9-13-21(18,19)17-15-11-10-12-16(14-15)20-2/h10-12,14,17H,3-9,13H2,1-2H3
InChIKeyUHHPFSAIZUFVJY-UHFFFAOYSA-N
MW313.46 g/mol
LogP4.19
Rot. Bonds11

About N-(3-methoxyphenyl)nonane-1-sulfonamide

N-(3-methoxyphenyl)nonane-1-sulfonamide (PubChem CID 43833954) has the molecular formula C16H27NO3S and a molecular weight of 313.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)nonane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)nonane-1-sulfonamide
PubChem CID43833954
Molecular FormulaC16H27NO3S
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC NameN-(3-methoxyphenyl)nonane-1-sulfonamide
SMILESCCCCCCCCCS(=O)(=O)Nc1cccc(OC)c1
InChIInChI=1S/C16H27NO3S/c1-3-4-5-6-7-8-9-13-21(18,19)17-15-11-10-12-16(14-15)20-2/h10-12,14,17H,3-9,13H2,1-2H3
InChIKeyUHHPFSAIZUFVJY-UHFFFAOYSA-N
XLogP4.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide
CID 79026619
methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate
CID 61457533
2,5-dimethoxyaniline;3-(hexadecylsulfonylamino)benzoic acid
CID 67685570
3-(octylsulfonylamino)benzoic acid
CID 152726076
N-hexyl-3-methoxyaniline
CID 15500485
N-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide
CID 110415867
N-(2,4,6-trimethoxyphenyl)hexadecane-1-sulfonamide
CID 10367516
3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide
CID 54967740
N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]octane-1-sulfonamide
CID 6075879
N-(3-aminophenyl)butane-1-sulfonamide
CID 16778445
1-(3-methoxyphenyl)-2-pentylsulfonylethanamine
CID 107758487
N-(3-methylsulfonylphenyl)butane-1-sulfonamide
CID 110779460

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)nonane-1-sulfonamide?
The IUPAC name of N-(3-methoxyphenyl)nonane-1-sulfonamide (CID 43833954) is N-(3-methoxyphenyl)nonane-1-sulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)nonane-1-sulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)nonane-1-sulfonamide is CCCCCCCCCS(=O)(=O)Nc1cccc(OC)c1.
What is the InChIKey of N-(3-methoxyphenyl)nonane-1-sulfonamide?
The InChIKey is UHHPFSAIZUFVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S/c1-3-4-5-6-7-8-9-13-21(18,19)17-15-11-10-12-16(14-15)20-2/h10-12,14,17H,3-9,13H2,1-2H3.
What are the key properties of N-(3-methoxyphenyl)nonane-1-sulfonamide?
N-(3-methoxyphenyl)nonane-1-sulfonamide has a molecular weight of 313.46 g/mol, XLogP of 4.19, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)nonane-1-sulfonamide is sourced from PubChem (CID 43833954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).