2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide

C13H16Cl2FNO2S — CID 102873388

IUPAC2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide
SMILESO=S(=O)(c1cc(F)ccc1Cl)N(CCCCl)C1CCC1
InChIInChI=1S/C13H16Cl2FNO2S/c14-7-2-8-17(11-3-1-4-11)20(18,19)13-9-10(16)5-6-12(13)15/h5-6,9,11H,1-4,7-8H2
InChIKeyKGCGEISSMLTDMQ-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.65
Rot. Bonds6

About 2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide

2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide (PubChem CID 102873388) has the molecular formula C13H16Cl2FNO2S and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide
PubChem CID102873388
Molecular FormulaC13H16Cl2FNO2S
Molecular Weight340.25 g/mol
Exact Mass339.03
IUPAC Name2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide
SMILESO=S(=O)(c1cc(F)ccc1Cl)N(CCCCl)C1CCC1
InChIInChI=1S/C13H16Cl2FNO2S/c14-7-2-8-17(11-3-1-4-11)20(18,19)13-9-10(16)5-6-12(13)15/h5-6,9,11H,1-4,7-8H2
InChIKeyKGCGEISSMLTDMQ-UHFFFAOYSA-N
XLogP3.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.65
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-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675891
2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493038
2-(chloromethyl)-N-cyclopropyl-5-fluoro-N-propylbenzenesulfonamide
CID 102920018
N-(2-bromoethyl)-N-cyclohexyl-2,5-difluorobenzenesulfonamide
CID 80669895
2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 102847463
4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide
CID 102873427
2-[(2-chloro-4-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
CID 60829976
N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577623
N-(2-bromoethyl)-N-cyclobutyl-4-fluoro-2-methylbenzenesulfonamide
CID 102873544
2-(chloromethyl)-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 102920088
N-cyclohexyl-N-ethyl-2,5-difluorobenzenesulfonamide
CID 60516548
2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60807123

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide (CID 102873388) is 2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide is O=S(=O)(c1cc(F)ccc1Cl)N(CCCCl)C1CCC1.
What is the InChIKey of 2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide?
The InChIKey is KGCGEISSMLTDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2FNO2S/c14-7-2-8-17(11-3-1-4-11)20(18,19)13-9-10(16)5-6-12(13)15/h5-6,9,11H,1-4,7-8H2.
What are the key properties of 2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide?
2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide has a molecular weight of 340.25 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide is sourced from PubChem (CID 102873388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).