N-(4-methoxyphenyl)nonane-2-sulfonamide

C16H27NO3S — CID 126695087

IUPACN-(4-methoxyphenyl)nonane-2-sulfonamide
SMILESCCCCCCCC(C)S(=O)(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C16H27NO3S/c1-4-5-6-7-8-9-14(2)21(18,19)17-15-10-12-16(20-3)13-11-15/h10-14,17H,4-9H2,1-3H3
InChIKeyHKIXSNLDBYYTGB-UHFFFAOYSA-N
MW313.46 g/mol
LogP4.19
Rot. Bonds10

About N-(4-methoxyphenyl)nonane-2-sulfonamide

N-(4-methoxyphenyl)nonane-2-sulfonamide (PubChem CID 126695087) has the molecular formula C16H27NO3S and a molecular weight of 313.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)nonane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)nonane-2-sulfonamide
PubChem CID126695087
Molecular FormulaC16H27NO3S
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC NameN-(4-methoxyphenyl)nonane-2-sulfonamide
SMILESCCCCCCCC(C)S(=O)(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C16H27NO3S/c1-4-5-6-7-8-9-14(2)21(18,19)17-15-10-12-16(20-3)13-11-15/h10-14,17H,4-9H2,1-3H3
InChIKeyHKIXSNLDBYYTGB-UHFFFAOYSA-N
XLogP4.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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

1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide
CID 106031224
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1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672
1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
CID 57185259
N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
CID 112987552
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
1-N,1-N'-bis(4-methoxyphenyl)-2,2-bis(octylsulfonyl)ethene-1,1-diamine
CID 4217562
(2S)-2-(4-methoxyphenyl)sulfonyloctanoic acid
CID 129382055
1-(4-methoxyphenyl)heptylhydrazine
CID 105190916
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
4-methoxy-N-(1-phenylhexyl)aniline
CID 43766012

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)nonane-2-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)nonane-2-sulfonamide (CID 126695087) is N-(4-methoxyphenyl)nonane-2-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)nonane-2-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)nonane-2-sulfonamide is CCCCCCCC(C)S(=O)(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)nonane-2-sulfonamide?
The InChIKey is HKIXSNLDBYYTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S/c1-4-5-6-7-8-9-14(2)21(18,19)17-15-10-12-16(20-3)13-11-15/h10-14,17H,4-9H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)nonane-2-sulfonamide?
N-(4-methoxyphenyl)nonane-2-sulfonamide has a molecular weight of 313.46 g/mol, XLogP of 4.19, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)nonane-2-sulfonamide is sourced from PubChem (CID 126695087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).