N-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide

C18H19F3N2O5S2 — CID 31064984

IUPACN-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C18H19F3N2O5S2/c19-18(20,21)28-16-9-2-3-10-17(16)29(24,25)22-14-7-6-8-15(13-14)30(26,27)23-11-4-1-5-12-23/h2-3,6-10,13,22H,1,4-5,11-12H2
InChIKeyZKRLJOLLXDNUMP-UHFFFAOYSA-N
MW464.49 g/mol
LogP3.56
Rot. Bonds6

About N-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide

N-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 31064984) has the molecular formula C18H19F3N2O5S2 and a molecular weight of 464.49 g/mol. Its IUPAC name is N-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID31064984
Molecular FormulaC18H19F3N2O5S2
Molecular Weight464.49 g/mol
Exact Mass464.07
IUPAC NameN-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C18H19F3N2O5S2/c19-18(20,21)28-16-9-2-3-10-17(16)29(24,25)22-14-7-6-8-15(13-14)30(26,27)23-11-4-1-5-12-23/h2-3,6-10,13,22H,1,4-5,11-12H2
InChIKeyZKRLJOLLXDNUMP-UHFFFAOYSA-N
XLogP3.56
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)phenyl]benzenesulfonamide
CID 2919639
N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 7996091
N-[3-(azepan-1-ylsulfonyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 4996463
3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 71903183
3-(azepan-1-ylsulfonyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525410
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 78836615
1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea
CID 25348337
N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 60534149
3-[(3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoate
CID 8015545
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid
CID 18274848
N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 6469836
N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 38944467

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 31064984) is N-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is ZKRLJOLLXDNUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O5S2/c19-18(20,21)28-16-9-2-3-10-17(16)29(24,25)22-14-7-6-8-15(13-14)30(26,27)23-11-4-1-5-12-23/h2-3,6-10,13,22H,1,4-5,11-12H2.
What are the key properties of N-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
N-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 464.49 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 31064984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).