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

C14H16ClNO2S — CID 114795632

IUPACN-(3-chlorobutyl)naphthalene-1-sulfonamide
SMILESCC(Cl)CCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H16ClNO2S/c1-11(15)9-10-16-19(17,18)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11,16H,9-10H2,1H3
InChIKeyONQMLHZDEIYUMR-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.14
Rot. Bonds5

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

N-(3-chlorobutyl)naphthalene-1-sulfonamide (PubChem CID 114795632) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is N-(3-chlorobutyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorobutyl)naphthalene-1-sulfonamide
PubChem CID114795632
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC NameN-(3-chlorobutyl)naphthalene-1-sulfonamide
SMILESCC(Cl)CCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H16ClNO2S/c1-11(15)9-10-16-19(17,18)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11,16H,9-10H2,1H3
InChIKeyONQMLHZDEIYUMR-UHFFFAOYSA-N
XLogP3.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-(3-chloropentyl)naphthalene-1-sulfonamide
CID 114795706
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-(3-chlorobutyl)quinoline-5-sulfonamide
CID 113451724
N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide
CID 103858821
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-(5-chloropentyl)naphthalene-1-sulfonamide
CID 107322709
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide
CID 115755317
N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide
CID 115684173
N-(2-chloro-3-methoxypropyl)naphthalene-1-sulfonamide
CID 114795627

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorobutyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(3-chlorobutyl)naphthalene-1-sulfonamide (CID 114795632) is N-(3-chlorobutyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(3-chlorobutyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(3-chlorobutyl)naphthalene-1-sulfonamide is CC(Cl)CCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(3-chlorobutyl)naphthalene-1-sulfonamide?
The InChIKey is ONQMLHZDEIYUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-11(15)9-10-16-19(17,18)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11,16H,9-10H2,1H3.
What are the key properties of N-(3-chlorobutyl)naphthalene-1-sulfonamide?
N-(3-chlorobutyl)naphthalene-1-sulfonamide has a molecular weight of 297.81 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 114795632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).