N-[3-pyrrolidin-2-yl-4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide

C18H19F3N2O4S — CID 10112583

IUPACN-[3-pyrrolidin-2-yl-4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)c(C2CCCN2)c1
InChIInChI=1S/C18H19F3N2O4S/c1-28(24,25)23-12-4-9-17(15(11-12)16-3-2-10-22-16)26-13-5-7-14(8-6-13)27-18(19,20)21/h4-9,11,16,22-23H,2-3,10H2,1H3
InChIKeyXYNNBCGESWCLPW-UHFFFAOYSA-N
MW416.42 g/mol
LogP4.17
Rot. Bonds6

About N-[3-pyrrolidin-2-yl-4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide

N-[3-pyrrolidin-2-yl-4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide (PubChem CID 10112583) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is N-[3-pyrrolidin-2-yl-4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-pyrrolidin-2-yl-4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide
PubChem CID10112583
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC NameN-[3-pyrrolidin-2-yl-4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)c(C2CCCN2)c1
InChIInChI=1S/C18H19F3N2O4S/c1-28(24,25)23-12-4-9-17(15(11-12)16-3-2-10-22-16)26-13-5-7-14(8-6-13)27-18(19,20)21/h4-9,11,16,22-23H,2-3,10H2,1H3
InChIKeyXYNNBCGESWCLPW-UHFFFAOYSA-N
XLogP4.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 10363809
CID 10363809
CID 10110820
CID 10110820
CID 72548735
CID 72548735
CID 44579446
CID 44579446
CID 122623510
CID 122623510
CID 122623690
CID 122623690
CID 118022534
CID 118022534
CID 201352
CID 201352
CID 201353
CID 201353
CID 129754143
CID 129754143
CID 10113507
CID 10113507
CID 10116094
CID 10116094

Frequently Asked Questions

What is the IUPAC name of N-[3-pyrrolidin-2-yl-4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[3-pyrrolidin-2-yl-4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide (CID 10112583) is N-[3-pyrrolidin-2-yl-4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-pyrrolidin-2-yl-4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-pyrrolidin-2-yl-4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)c(C2CCCN2)c1.
What is the InChIKey of N-[3-pyrrolidin-2-yl-4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide?
The InChIKey is XYNNBCGESWCLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-28(24,25)23-12-4-9-17(15(11-12)16-3-2-10-22-16)26-13-5-7-14(8-6-13)27-18(19,20)21/h4-9,11,16,22-23H,2-3,10H2,1H3.
What are the key properties of N-[3-pyrrolidin-2-yl-4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide?
N-[3-pyrrolidin-2-yl-4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide has a molecular weight of 416.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-pyrrolidin-2-yl-4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 10112583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).