N-(5-chloropentyl)naphthalene-1-sulfonamide

C15H18ClNO2S — CID 107322709

IUPACN-(5-chloropentyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCCCCCl)c1cccc2ccccc12
InChIInChI=1S/C15H18ClNO2S/c16-11-4-1-5-12-17-20(18,19)15-10-6-8-13-7-2-3-9-14(13)15/h2-3,6-10,17H,1,4-5,11-12H2
InChIKeyJOHSNKSFWWCDDW-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.53
Rot. Bonds7

About N-(5-chloropentyl)naphthalene-1-sulfonamide

N-(5-chloropentyl)naphthalene-1-sulfonamide (PubChem CID 107322709) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is N-(5-chloropentyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(5-chloropentyl)naphthalene-1-sulfonamide
PubChem CID107322709
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC NameN-(5-chloropentyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCCCCCl)c1cccc2ccccc12
InChIInChI=1S/C15H18ClNO2S/c16-11-4-1-5-12-17-20(18,19)15-10-6-8-13-7-2-3-9-14(13)15/h2-3,6-10,17H,1,4-5,11-12H2
InChIKeyJOHSNKSFWWCDDW-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
CID 50987005
N-(6-chlorohexyl)-2-methylbenzenesulfonamide
CID 107849171
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-(3-chlorobutyl)naphthalene-1-sulfonamide
CID 114795632
N-(3-ethenoxypropyl)naphthalene-1-sulfonamide
CID 114795784
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178
N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
CID 115684216
N-(3-chloropentyl)naphthalene-1-sulfonamide
CID 114795706
N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide
CID 103858821

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(5-chloropentyl)naphthalene-1-sulfonamide (CID 107322709) is N-(5-chloropentyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(5-chloropentyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(5-chloropentyl)naphthalene-1-sulfonamide is O=S(=O)(NCCCCCCl)c1cccc2ccccc12.
What is the InChIKey of N-(5-chloropentyl)naphthalene-1-sulfonamide?
The InChIKey is JOHSNKSFWWCDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2S/c16-11-4-1-5-12-17-20(18,19)15-10-6-8-13-7-2-3-9-14(13)15/h2-3,6-10,17H,1,4-5,11-12H2.
What are the key properties of N-(5-chloropentyl)naphthalene-1-sulfonamide?
N-(5-chloropentyl)naphthalene-1-sulfonamide has a molecular weight of 311.83 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 107322709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).