N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide

C16H21NO2S — CID 115684135

IUPACN-(2-methylpentan-2-yl)naphthalene-1-sulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H21NO2S/c1-4-12-16(2,3)17-20(18,19)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,17H,4,12H2,1-3H3
InChIKeyUTZAEPULEHTDRE-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.70
Rot. Bonds5

About N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide

N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide (PubChem CID 115684135) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpentan-2-yl)naphthalene-1-sulfonamide
PubChem CID115684135
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-(2-methylpentan-2-yl)naphthalene-1-sulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H21NO2S/c1-4-12-16(2,3)17-20(18,19)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,17H,4,12H2,1-3H3
InChIKeyUTZAEPULEHTDRE-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylpentan-3-yl)naphthalene-1-sulfonamide
CID 103740938
N-(trifluoromethyl)naphthalene-1-sulfonamide
CID 19040009
N-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide
CID 114795664
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide
CID 114795769
N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795805
N-(1-cyanobutyl)naphthalene-1-sulfonamide
CID 115755819
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-1-sulfonamide;hydrochloride
CID 119981674
4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide
CID 118188377
N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
CID 115684216
N-phenylnaphthalene-1-sulfonamide
CID 3816137

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide (CID 115684135) is N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide is CCCC(C)(C)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide?
The InChIKey is UTZAEPULEHTDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-4-12-16(2,3)17-20(18,19)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,17H,4,12H2,1-3H3.
What are the key properties of N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide?
N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide has a molecular weight of 291.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 115684135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).