N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide

C13H17F3N2O3S — CID 120723484

IUPACN-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCC[C@H]1CCCN1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3S/c14-13(15,16)21-11-4-1-5-12(9-11)22(19,20)18-8-6-10-3-2-7-17-10/h1,4-5,9-10,17-18H,2-3,6-8H2/t10-/m1/s1
InChIKeyMPLMOEWZACPYNX-SNVBAGLBSA-N
MW338.35 g/mol
LogP2.01
Rot. Bonds6

About N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide

N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 120723484) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID120723484
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC NameN-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCC[C@H]1CCCN1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3S/c14-13(15,16)21-11-4-1-5-12(9-11)22(19,20)18-8-6-10-3-2-7-17-10/h1,4-5,9-10,17-18H,2-3,6-8H2/t10-/m1/s1
InChIKeyMPLMOEWZACPYNX-SNVBAGLBSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 62659680
5-(benzenesulfonyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 129394124
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 104972659
3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723468
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 47034075
N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide
CID 63320915
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972462
N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119965033
N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119973870
3-cyano-4-fluoro-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794187
N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31687969

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide (CID 120723484) is N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCC[C@H]1CCCN1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is MPLMOEWZACPYNX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c14-13(15,16)21-11-4-1-5-12(9-11)22(19,20)18-8-6-10-3-2-7-17-10/h1,4-5,9-10,17-18H,2-3,6-8H2/t10-/m1/s1.
What are the key properties of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide?
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 338.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 120723484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).