N-methyl-4-pentoxynaphthalene-1-sulfonamide

C16H21NO3S — CID 50876527

IUPACN-methyl-4-pentoxynaphthalene-1-sulfonamide
SMILESCCCCCOc1ccc(S(=O)(=O)NC)c2ccccc12
InChIInChI=1S/C16H21NO3S/c1-3-4-7-12-20-15-10-11-16(21(18,19)17-2)14-9-6-5-8-13(14)15/h5-6,8-11,17H,3-4,7,12H2,1-2H3
InChIKeyJGYCPXHPBFJRMP-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.32
Rot. Bonds7

About N-methyl-4-pentoxynaphthalene-1-sulfonamide

N-methyl-4-pentoxynaphthalene-1-sulfonamide (PubChem CID 50876527) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-methyl-4-pentoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-4-pentoxynaphthalene-1-sulfonamide
PubChem CID50876527
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC NameN-methyl-4-pentoxynaphthalene-1-sulfonamide
SMILESCCCCCOc1ccc(S(=O)(=O)NC)c2ccccc12
InChIInChI=1S/C16H21NO3S/c1-3-4-7-12-20-15-10-11-16(21(18,19)17-2)14-9-6-5-8-13(14)15/h5-6,8-11,17H,3-4,7,12H2,1-2H3
InChIKeyJGYCPXHPBFJRMP-UHFFFAOYSA-N
XLogP3.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.32
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

N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide
CID 164548551
4-dodecoxynaphthalene-1-sulfonamide
CID 54239481
4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
CID 16644990
N-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide
CID 170915645
4-butoxynaphthalene-1-sulfonamide
CID 43342503
1,4-didodecoxynaphthalene
CID 21304164
4-propoxy-N-(2,4,4-trimethylpentan-2-yl)naphthalene-1-sulfonamide
CID 146145742
1,4-dibutoxynaphthalene
CID 22016411
1-[4-(4-pentoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanone
CID 16645251
2-fluoro-5-[(4-pentoxynaphthalen-1-yl)sulfonylamino]benzoic acid
CID 155532366
N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide
CID 25252533
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pentoxynaphthalene-1-sulfonamide?
The IUPAC name of N-methyl-4-pentoxynaphthalene-1-sulfonamide (CID 50876527) is N-methyl-4-pentoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-methyl-4-pentoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-methyl-4-pentoxynaphthalene-1-sulfonamide is CCCCCOc1ccc(S(=O)(=O)NC)c2ccccc12.
What is the InChIKey of N-methyl-4-pentoxynaphthalene-1-sulfonamide?
The InChIKey is JGYCPXHPBFJRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-3-4-7-12-20-15-10-11-16(21(18,19)17-2)14-9-6-5-8-13(14)15/h5-6,8-11,17H,3-4,7,12H2,1-2H3.
What are the key properties of N-methyl-4-pentoxynaphthalene-1-sulfonamide?
N-methyl-4-pentoxynaphthalene-1-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pentoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 50876527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).