N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide

C13H13F2NO3S — CID 103836737

IUPACN-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCC(O)C(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C13H13F2NO3S/c14-13(15)12(17)8-16-20(18,19)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-13,16-17H,8H2
InChIKeyDRUZJCBDGRKZOE-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.74
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide

N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide (PubChem CID 103836737) has the molecular formula C13H13F2NO3S and a molecular weight of 301.31 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide
PubChem CID103836737
Molecular FormulaC13H13F2NO3S
Molecular Weight301.31 g/mol
Exact Mass301.06
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCC(O)C(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C13H13F2NO3S/c14-13(15)12(17)8-16-20(18,19)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-13,16-17H,8H2
InChIKeyDRUZJCBDGRKZOE-UHFFFAOYSA-N
XLogP1.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide
CID 90496859
N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 103836926
5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide
CID 103836901
N-[(2R)-2-(ethylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 120664537
N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
CID 90499632
N-(3,3-difluoro-2-hydroxypropyl)-3-propanoylbenzenesulfonamide
CID 103836741
4-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106833452
4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide
CID 103836774
N-(2-bromoethyl)naphthalene-2-sulfonamide
CID 4737381
N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide
CID 3780847

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide (CID 103836737) is N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide is O=S(=O)(NCC(O)C(F)F)c1ccc2ccccc2c1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide?
The InChIKey is DRUZJCBDGRKZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO3S/c14-13(15)12(17)8-16-20(18,19)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-13,16-17H,8H2.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide has a molecular weight of 301.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 103836737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).