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

C15H18ClNO2S — CID 114795706

IUPACN-(3-chloropentyl)naphthalene-1-sulfonamide
SMILESCCC(Cl)CCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H18ClNO2S/c1-2-13(16)10-11-17-20(18,19)15-9-5-7-12-6-3-4-8-14(12)15/h3-9,13,17H,2,10-11H2,1H3
InChIKeyJDKQTOBESOVPHT-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.53
Rot. Bonds6

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

N-(3-chloropentyl)naphthalene-1-sulfonamide (PubChem CID 114795706) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is N-(3-chloropentyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloropentyl)naphthalene-1-sulfonamide
PubChem CID114795706
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC NameN-(3-chloropentyl)naphthalene-1-sulfonamide
SMILESCCC(Cl)CCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H18ClNO2S/c1-2-13(16)10-11-17-20(18,19)15-9-5-7-12-6-3-4-8-14(12)15/h3-9,13,17H,2,10-11H2,1H3
InChIKeyJDKQTOBESOVPHT-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 53.53
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-chlorobutyl)naphthalene-1-sulfonamide
CID 114795632
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide
CID 115684173
N-(2-chloro-3-methoxypropyl)naphthalene-1-sulfonamide
CID 114795627
N-(3-chloro-4-methoxybutyl)isoquinoline-5-sulfonamide
CID 106245479
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide
CID 170551201
N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide
CID 103858821
N-(5-chloropentyl)naphthalene-1-sulfonamide
CID 107322709
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropentyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(3-chloropentyl)naphthalene-1-sulfonamide (CID 114795706) is N-(3-chloropentyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(3-chloropentyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(3-chloropentyl)naphthalene-1-sulfonamide is CCC(Cl)CCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(3-chloropentyl)naphthalene-1-sulfonamide?
The InChIKey is JDKQTOBESOVPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2S/c1-2-13(16)10-11-17-20(18,19)15-9-5-7-12-6-3-4-8-14(12)15/h3-9,13,17H,2,10-11H2,1H3.
What are the key properties of N-(3-chloropentyl)naphthalene-1-sulfonamide?
N-(3-chloropentyl)naphthalene-1-sulfonamide has a molecular weight of 311.83 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropentyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 114795706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).