N-(3-methylbutyl)naphthalene-1-sulfonamide

C15H19NO2S — CID 115684014

IUPACN-(3-methylbutyl)naphthalene-1-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H19NO2S/c1-12(2)10-11-16-19(17,18)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,16H,10-11H2,1-2H3
InChIKeyXYVSNCGMDSUREZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.16
Rot. Bonds5

About N-(3-methylbutyl)naphthalene-1-sulfonamide

N-(3-methylbutyl)naphthalene-1-sulfonamide (PubChem CID 115684014) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(3-methylbutyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methylbutyl)naphthalene-1-sulfonamide
PubChem CID115684014
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-(3-methylbutyl)naphthalene-1-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H19NO2S/c1-12(2)10-11-16-19(17,18)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,16H,10-11H2,1-2H3
InChIKeyXYVSNCGMDSUREZ-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-(3-chlorobutyl)naphthalene-1-sulfonamide
CID 114795632
N-(3-chloropentyl)naphthalene-1-sulfonamide
CID 114795706
N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide
CID 103858821
N-(5-methylhexan-2-yl)naphthalene-1-sulfonamide
CID 114795789
2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 114132450
N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide
CID 115684173
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide
CID 115755317
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(3-methylbutyl)naphthalene-1-sulfonamide (CID 115684014) is N-(3-methylbutyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(3-methylbutyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(3-methylbutyl)naphthalene-1-sulfonamide is CC(C)CCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(3-methylbutyl)naphthalene-1-sulfonamide?
The InChIKey is XYVSNCGMDSUREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-12(2)10-11-16-19(17,18)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,16H,10-11H2,1-2H3.
What are the key properties of N-(3-methylbutyl)naphthalene-1-sulfonamide?
N-(3-methylbutyl)naphthalene-1-sulfonamide has a molecular weight of 277.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 115684014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).