N-[3-(3-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethoxy)benzenesulfonamide

C16H15ClF3NO4S — CID 91624411

IUPACN-[3-(3-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1cccc(Cl)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H15ClF3NO4S/c17-12-5-3-4-11(10-12)13(22)8-9-21-26(23,24)15-7-2-1-6-14(15)25-16(18,19)20/h1-7,10,13,21-22H,8-9H2
InChIKeyLHUOTKXMHINEGY-UHFFFAOYSA-N
MW409.81 g/mol
LogP3.64
Rot. Bonds7

About N-[3-(3-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethoxy)benzenesulfonamide

N-[3-(3-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 91624411) has the molecular formula C16H15ClF3NO4S and a molecular weight of 409.81 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID91624411
Molecular FormulaC16H15ClF3NO4S
Molecular Weight409.81 g/mol
Exact Mass409.04
IUPAC NameN-[3-(3-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1cccc(Cl)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H15ClF3NO4S/c17-12-5-3-4-11(10-12)13(22)8-9-21-26(23,24)15-7-2-1-6-14(15)25-16(18,19)20/h1-7,10,13,21-22H,8-9H2
InChIKeyLHUOTKXMHINEGY-UHFFFAOYSA-N
XLogP3.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.81
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[3-(3-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 91624411) is N-[3-(3-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCCC(O)c1cccc(Cl)c1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[3-(3-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is LHUOTKXMHINEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO4S/c17-12-5-3-4-11(10-12)13(22)8-9-21-26(23,24)15-7-2-1-6-14(15)25-16(18,19)20/h1-7,10,13,21-22H,8-9H2.
What are the key properties of N-[3-(3-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[3-(3-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 409.81 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-3-hydroxypropyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 91624411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).