N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide

C17H23NO2S — CID 114795805

IUPACN-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H23NO2S/c1-4-14(5-2)13(3)18-21(19,20)17-12-8-10-15-9-6-7-11-16(15)17/h6-14,18H,4-5H2,1-3H3
InChIKeyTVFLHAFJIDQHJM-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.94
Rot. Bonds6

About N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide

N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide (PubChem CID 114795805) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
PubChem CID114795805
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H23NO2S/c1-4-14(5-2)13(3)18-21(19,20)17-12-8-10-15-9-6-7-11-16(15)17/h6-14,18H,4-5H2,1-3H3
InChIKeyTVFLHAFJIDQHJM-UHFFFAOYSA-N
XLogP3.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
CID 114795460
(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 103862696
2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 63838250
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489
N-(1-cyanoethyl)naphthalene-1-sulfonamide
CID 115766500
N-(5-methylhexan-2-yl)naphthalene-1-sulfonamide
CID 114795789
N-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide
CID 115684220
N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide
CID 114795686
N-(3-ethylpentan-2-yl)-2-(methylaminomethyl)benzenesulfonamide
CID 106063357
N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide
CID 3415984
(4S)-N-hydroxy-4-methyl-3-(naphthalen-1-ylsulfonylamino)hexanamide
CID 10291533
N-(1-cyanobutyl)naphthalene-1-sulfonamide
CID 115755819

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide (CID 114795805) is N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide is CCC(CC)C(C)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide?
The InChIKey is TVFLHAFJIDQHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-4-14(5-2)13(3)18-21(19,20)17-12-8-10-15-9-6-7-11-16(15)17/h6-14,18H,4-5H2,1-3H3.
What are the key properties of N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide?
N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide has a molecular weight of 305.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 114795805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).