benzenesulfonamide;propan-2-ol;N-(trifluoromethoxy)benzenesulfonamide

C16H21F3N2O6S2 — CID 160752495

IUPACbenzenesulfonamide;propan-2-ol;N-(trifluoromethoxy)benzenesulfonamide
SMILESCC(C)O.NS(=O)(=O)c1ccccc1.O=S(=O)(NOC(F)(F)F)c1ccccc1
InChIInChI=1S/C7H6F3NO3S.C6H7NO2S.C3H8O/c8-7(9,10)14-11-15(12,13)6-4-2-1-3-5-6;7-10(8,9)6-4-2-1-3-5-6;1-3(2)4/h1-5,11H;1-5H,(H2,7,8,9);3-4H,1-2H3
InChIKeyRWZYIRNPJNONGA-UHFFFAOYSA-N
MW458.48 g/mol
LogP2.14
Rot. Bonds4

About benzenesulfonamide;propan-2-ol;N-(trifluoromethoxy)benzenesulfonamide

benzenesulfonamide;propan-2-ol;N-(trifluoromethoxy)benzenesulfonamide (PubChem CID 160752495) has the molecular formula C16H21F3N2O6S2 and a molecular weight of 458.48 g/mol. Its IUPAC name is benzenesulfonamide;propan-2-ol;N-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Namebenzenesulfonamide;propan-2-ol;N-(trifluoromethoxy)benzenesulfonamide
PubChem CID160752495
Molecular FormulaC16H21F3N2O6S2
Molecular Weight458.48 g/mol
Exact Mass458.08
IUPAC Namebenzenesulfonamide;propan-2-ol;N-(trifluoromethoxy)benzenesulfonamide
SMILESCC(C)O.NS(=O)(=O)c1ccccc1.O=S(=O)(NOC(F)(F)F)c1ccccc1
InChIInChI=1S/C7H6F3NO3S.C6H7NO2S.C3H8O/c8-7(9,10)14-11-15(12,13)6-4-2-1-3-5-6;7-10(8,9)6-4-2-1-3-5-6;1-3(2)4/h1-5,11H;1-5H,(H2,7,8,9);3-4H,1-2H3
InChIKeyRWZYIRNPJNONGA-UHFFFAOYSA-N
XLogP2.14
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzenesulfonamide;2-methylpropane
CID 157350693
N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide
CID 164941118
benzenesulfonamide;methanol
CID 23223292
benzenesulfonamide;boric acid
CID 160795607
N-(difluoromethoxy)benzenesulfonamide
CID 154499531
disodium;benzenesulfonamide;hydride
CID 174402178
N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide
CID 175441689
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
methyl 3-(benzenesulfonamido)-2-hydroxypropanoate
CID 103878768
N-[2-(aminomethoxy)propyl]benzenesulfonamide
CID 172608370
4-N-(4,4,4-trifluorobutan-2-yl)benzene-1,4-disulfonamide
CID 104854834
ethane;trifluoromethylsulfonylbenzene
CID 144556552

Frequently Asked Questions

What is the IUPAC name of benzenesulfonamide;propan-2-ol;N-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of benzenesulfonamide;propan-2-ol;N-(trifluoromethoxy)benzenesulfonamide (CID 160752495) is benzenesulfonamide;propan-2-ol;N-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for benzenesulfonamide;propan-2-ol;N-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for benzenesulfonamide;propan-2-ol;N-(trifluoromethoxy)benzenesulfonamide is CC(C)O.NS(=O)(=O)c1ccccc1.O=S(=O)(NOC(F)(F)F)c1ccccc1.
What is the InChIKey of benzenesulfonamide;propan-2-ol;N-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is RWZYIRNPJNONGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3S.C6H7NO2S.C3H8O/c8-7(9,10)14-11-15(12,13)6-4-2-1-3-5-6;7-10(8,9)6-4-2-1-3-5-6;1-3(2)4/h1-5,11H;1-5H,(H2,7,8,9);3-4H,1-2H3.
What are the key properties of benzenesulfonamide;propan-2-ol;N-(trifluoromethoxy)benzenesulfonamide?
benzenesulfonamide;propan-2-ol;N-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 458.48 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonamide;propan-2-ol;N-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 160752495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).