N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide

C16H19NO3S — CID 172880543

IUPACN-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCC2)c2ccccc12
InChIInChI=1S/C16H19NO3S/c1-2-20-15-10-11-16(14-9-4-3-8-13(14)15)21(18,19)17-12-6-5-7-12/h3-4,8-12,17H,2,5-7H2,1H3
InChIKeyYTGRGDBNMVNFDT-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.07
Rot. Bonds5

About N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide

N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide (PubChem CID 172880543) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
PubChem CID172880543
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCC2)c2ccccc12
InChIInChI=1S/C16H19NO3S/c1-2-20-15-10-11-16(14-9-4-3-8-13(14)15)21(18,19)17-12-6-5-7-12/h3-4,8-12,17H,2,5-7H2,1H3
InChIKeyYTGRGDBNMVNFDT-UHFFFAOYSA-N
XLogP3.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-methoxynaphthalene-1-sulfonamide
CID 7314514
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide
CID 120722933
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
(2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine
CID 748027
N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide
CID 154762748
4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride
CID 119968708
4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904
4-bromo-N-cyclopentylnaphthalene-1-sulfonamide
CID 91800387
N-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide
CID 25248834
N-cyclohexyl-4-fluoronaphthalene-1-sulfonamide
CID 589300
N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide
CID 120583247

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide?
The IUPAC name of N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide (CID 172880543) is N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide is CCOc1ccc(S(=O)(=O)NC2CCC2)c2ccccc12.
What is the InChIKey of N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide?
The InChIKey is YTGRGDBNMVNFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-2-20-15-10-11-16(14-9-4-3-8-13(14)15)21(18,19)17-12-6-5-7-12/h3-4,8-12,17H,2,5-7H2,1H3.
What are the key properties of N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide?
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 172880543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).