N-(2-chloroethyl)-N-cyclobutylnaphthalene-1-sulfonamide

C16H18ClNO2S — CID 102873634

IUPACN-(2-chloroethyl)-N-cyclobutylnaphthalene-1-sulfonamide
SMILESO=S(=O)(c1cccc2ccccc12)N(CCCl)C1CCC1
InChIInChI=1S/C16H18ClNO2S/c17-11-12-18(14-7-4-8-14)21(19,20)16-10-3-6-13-5-1-2-9-15(13)16/h1-3,5-6,9-10,14H,4,7-8,11-12H2
InChIKeyBUYXFHVUWMHQPI-UHFFFAOYSA-N
MW323.84 g/mol
LogP3.62
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclobutylnaphthalene-1-sulfonamide

N-(2-chloroethyl)-N-cyclobutylnaphthalene-1-sulfonamide (PubChem CID 102873634) has the molecular formula C16H18ClNO2S and a molecular weight of 323.84 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclobutylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclobutylnaphthalene-1-sulfonamide
PubChem CID102873634
Molecular FormulaC16H18ClNO2S
Molecular Weight323.84 g/mol
Exact Mass323.07
IUPAC NameN-(2-chloroethyl)-N-cyclobutylnaphthalene-1-sulfonamide
SMILESO=S(=O)(c1cccc2ccccc12)N(CCCl)C1CCC1
InChIInChI=1S/C16H18ClNO2S/c17-11-12-18(14-7-4-8-14)21(19,20)16-10-3-6-13-5-1-2-9-15(13)16/h1-3,5-6,9-10,14H,4,7-8,11-12H2
InChIKeyBUYXFHVUWMHQPI-UHFFFAOYSA-N
XLogP3.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.84
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide
CID 102873538
N-(2-chloroethyl)-N-cyclobutyl-2-methylbenzenesulfonamide
CID 102873632
N-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide
CID 115887203
N-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide
CID 102874432
N-butyl-N-(2-chloroethyl)naphthalene-1-sulfonamide
CID 114795610
2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 102847463
4-bromo-N-(2-chloroethyl)-N-cyclobutylbenzenesulfonamide
CID 102873617
N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide
CID 102873627
2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 61216934
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577489
2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide
CID 102862565
3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide
CID 63396941

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclobutylnaphthalene-1-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclobutylnaphthalene-1-sulfonamide (CID 102873634) is N-(2-chloroethyl)-N-cyclobutylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclobutylnaphthalene-1-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclobutylnaphthalene-1-sulfonamide is O=S(=O)(c1cccc2ccccc12)N(CCCl)C1CCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclobutylnaphthalene-1-sulfonamide?
The InChIKey is BUYXFHVUWMHQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c17-11-12-18(14-7-4-8-14)21(19,20)16-10-3-6-13-5-1-2-9-15(13)16/h1-3,5-6,9-10,14H,4,7-8,11-12H2.
What are the key properties of N-(2-chloroethyl)-N-cyclobutylnaphthalene-1-sulfonamide?
N-(2-chloroethyl)-N-cyclobutylnaphthalene-1-sulfonamide has a molecular weight of 323.84 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclobutylnaphthalene-1-sulfonamide is sourced from PubChem (CID 102873634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).