N-(3-chloropropyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide

C11H19ClF3NO2S — CID 102873424

IUPACN-(3-chloropropyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)N(CCCCl)C1CCC1
InChIInChI=1S/C11H19ClF3NO2S/c12-7-3-8-16(10-4-1-5-10)19(17,18)9-2-6-11(13,14)15/h10H,1-9H2
InChIKeyOOIFXOGLKDPKFO-UHFFFAOYSA-N
MW321.79 g/mol
LogP3.14
Rot. Bonds8

About N-(3-chloropropyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide

N-(3-chloropropyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 102873424) has the molecular formula C11H19ClF3NO2S and a molecular weight of 321.79 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID102873424
Molecular FormulaC11H19ClF3NO2S
Molecular Weight321.79 g/mol
Exact Mass321.08
IUPAC NameN-(3-chloropropyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)N(CCCCl)C1CCC1
InChIInChI=1S/C11H19ClF3NO2S/c12-7-3-8-16(10-4-1-5-10)19(17,18)9-2-6-11(13,14)15/h10H,1-9H2
InChIKeyOOIFXOGLKDPKFO-UHFFFAOYSA-N
XLogP3.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 53.14
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-(3-aminopropyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83068235
N-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83047751
N-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide
CID 102873426
3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide
CID 60958952
4-(3-chloropropylsulfonyl)-1,1,1-trifluorobutane
CID 88547149
N-(2-chloroethyl)-N-(4,4,4-trifluorobutyl)cyclohexanamine
CID 115518352
N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide
CID 102847521
N-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide
CID 63396598
N-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide
CID 102873428
N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide
CID 63396597
N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide
CID 102873337
4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide
CID 102873427

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide (CID 102873424) is N-(3-chloropropyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)N(CCCCl)C1CCC1.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is OOIFXOGLKDPKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3NO2S/c12-7-3-8-16(10-4-1-5-10)19(17,18)9-2-6-11(13,14)15/h10H,1-9H2.
What are the key properties of N-(3-chloropropyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide?
N-(3-chloropropyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 321.79 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 102873424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).