N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide

C16H21NO3S — CID 66485755

IUPACN-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)(C)C)c2ccccc12
InChIInChI=1S/C16H21NO3S/c1-5-20-14-10-11-15(13-9-7-6-8-12(13)14)21(18,19)17-16(2,3)4/h6-11,17H,5H2,1-4H3
InChIKeyAHAJICULRBUQLH-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.32
Rot. Bonds4

About N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide

N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide (PubChem CID 66485755) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
PubChem CID66485755
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC NameN-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)(C)C)c2ccccc12
InChIInChI=1S/C16H21NO3S/c1-5-20-14-10-11-15(13-9-7-6-8-12(13)14)21(18,19)17-16(2,3)4/h6-11,17H,5H2,1-4H3
InChIKeyAHAJICULRBUQLH-UHFFFAOYSA-N
XLogP3.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide
CID 154762748
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543
4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904
4-propoxy-N-(2,4,4-trimethylpentan-2-yl)naphthalene-1-sulfonamide
CID 146145742
N-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide
CID 71852690
N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide
CID 120583247
sodium;4-ethoxynaphthalene-1-sulfonic acid;hydride
CID 173109617
N-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide
CID 25248834
N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide
CID 60579353
2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate
CID 5046040
N'-(4-ethoxynaphthalen-1-yl)sulfonyl-4-fluorobenzohydrazide
CID 86839542

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide?
The IUPAC name of N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide (CID 66485755) is N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide is CCOc1ccc(S(=O)(=O)NC(C)(C)C)c2ccccc12.
What is the InChIKey of N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide?
The InChIKey is AHAJICULRBUQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-5-20-14-10-11-15(13-9-7-6-8-12(13)14)21(18,19)17-16(2,3)4/h6-11,17H,5H2,1-4H3.
What are the key properties of N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide?
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 66485755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).