N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide

C16H21NO3S — CID 65112958

IUPACN-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO3S/c1-3-16(18,4-2)12-17-21(19,20)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,17-18H,3-4,12H2,1-2H3
InChIKeyGXJGQWWWBYTGQA-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.67
Rot. Bonds6

About N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide

N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide (PubChem CID 65112958) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide
PubChem CID65112958
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC NameN-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO3S/c1-3-16(18,4-2)12-17-21(19,20)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,17-18H,3-4,12H2,1-2H3
InChIKeyGXJGQWWWBYTGQA-UHFFFAOYSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
3-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylbenzenesulfonamide
CID 65103032
4-amino-3-bromo-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65102662
N-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide
CID 65112960
4-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 82843587
N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65113407
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide
CID 90535526
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide
CID 49459732
methyl 3-[(2-ethyl-2-hydroxybutyl)sulfamoyl]benzoate
CID 65113181
3-chloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 65113185
N-nonylnaphthalene-2-sulfonamide
CID 19681387

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide (CID 65112958) is N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide is CCC(O)(CC)CNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide?
The InChIKey is GXJGQWWWBYTGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-3-16(18,4-2)12-17-21(19,20)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,17-18H,3-4,12H2,1-2H3.
What are the key properties of N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide?
N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide has a molecular weight of 307.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 65112958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).