N-[3-(piperidin-4-ylamino)-4-(trifluoromethyl)phenyl]benzenesulfonamide

C18H20F3N3O2S — CID 45377067

IUPACN-[3-(piperidin-4-ylamino)-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)c(NC2CCNCC2)c1)c1ccccc1
InChIInChI=1S/C18H20F3N3O2S/c19-18(20,21)16-7-6-14(12-17(16)23-13-8-10-22-11-9-13)24-27(25,26)15-4-2-1-3-5-15/h1-7,12-13,22-24H,8-11H2
InChIKeyIWRHOGLGVWNSAL-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.67
Rot. Bonds5

About N-[3-(piperidin-4-ylamino)-4-(trifluoromethyl)phenyl]benzenesulfonamide

N-[3-(piperidin-4-ylamino)-4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 45377067) has the molecular formula C18H20F3N3O2S and a molecular weight of 399.44 g/mol. Its IUPAC name is N-[3-(piperidin-4-ylamino)-4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(piperidin-4-ylamino)-4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID45377067
Molecular FormulaC18H20F3N3O2S
Molecular Weight399.44 g/mol
Exact Mass399.12
IUPAC NameN-[3-(piperidin-4-ylamino)-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)c(NC2CCNCC2)c1)c1ccccc1
InChIInChI=1S/C18H20F3N3O2S/c19-18(20,21)16-7-6-14(12-17(16)23-13-8-10-22-11-9-13)24-27(25,26)15-4-2-1-3-5-15/h1-7,12-13,22-24H,8-11H2
InChIKeyIWRHOGLGVWNSAL-UHFFFAOYSA-N
XLogP3.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(piperidin-4-ylamino)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(piperidin-4-ylamino)-4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 45377067) is N-[3-(piperidin-4-ylamino)-4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(piperidin-4-ylamino)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(piperidin-4-ylamino)-4-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)c(NC2CCNCC2)c1)c1ccccc1.
What is the InChIKey of N-[3-(piperidin-4-ylamino)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is IWRHOGLGVWNSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2S/c19-18(20,21)16-7-6-14(12-17(16)23-13-8-10-22-11-9-13)24-27(25,26)15-4-2-1-3-5-15/h1-7,12-13,22-24H,8-11H2.
What are the key properties of N-[3-(piperidin-4-ylamino)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
N-[3-(piperidin-4-ylamino)-4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 399.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(piperidin-4-ylamino)-4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 45377067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).