N-(3-methylpentan-3-yl)naphthalene-1-sulfonamide

C16H21NO2S — CID 103740938

IUPACN-(3-methylpentan-3-yl)naphthalene-1-sulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H21NO2S/c1-4-16(3,5-2)17-20(18,19)15-12-8-10-13-9-6-7-11-14(13)15/h6-12,17H,4-5H2,1-3H3
InChIKeyUQSMNXNYJVLCIZ-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.70
Rot. Bonds5

About N-(3-methylpentan-3-yl)naphthalene-1-sulfonamide

N-(3-methylpentan-3-yl)naphthalene-1-sulfonamide (PubChem CID 103740938) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(3-methylpentan-3-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methylpentan-3-yl)naphthalene-1-sulfonamide
PubChem CID103740938
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-(3-methylpentan-3-yl)naphthalene-1-sulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H21NO2S/c1-4-16(3,5-2)17-20(18,19)15-12-8-10-13-9-6-7-11-14(13)15/h6-12,17H,4-5H2,1-3H3
InChIKeyUQSMNXNYJVLCIZ-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-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide
CID 114795664
N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide
CID 115684135
N-(trifluoromethyl)naphthalene-1-sulfonamide
CID 19040009
N-(1-bromo-3-methylpentan-3-yl)isoquinoline-5-sulfonamide
CID 106169935
2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide
CID 114795769
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300
N-(3-methylpentan-3-yl)-2-nitrobenzenesulfonamide
CID 56805607
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795805
2-(3-methylpentan-3-ylsulfamoyl)benzenecarbothioamide
CID 106329106
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-1-sulfonamide;hydrochloride
CID 119981674
N-phenylnaphthalene-1-sulfonamide
CID 3816137

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-3-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(3-methylpentan-3-yl)naphthalene-1-sulfonamide (CID 103740938) is N-(3-methylpentan-3-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(3-methylpentan-3-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(3-methylpentan-3-yl)naphthalene-1-sulfonamide is CCC(C)(CC)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(3-methylpentan-3-yl)naphthalene-1-sulfonamide?
The InChIKey is UQSMNXNYJVLCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-4-16(3,5-2)17-20(18,19)15-12-8-10-13-9-6-7-11-14(13)15/h6-12,17H,4-5H2,1-3H3.
What are the key properties of N-(3-methylpentan-3-yl)naphthalene-1-sulfonamide?
N-(3-methylpentan-3-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-(3-methylpentan-3-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 103740938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).