N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide

C16H20F4N2O2S — CID 155146240

IUPACN-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)N(C[C@H]1CCCN1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H20F4N2O2S/c1-25(23,24)22(10-12-3-2-8-21-12)15(6-7-15)11-4-5-14(17)13(9-11)16(18,19)20/h4-5,9,12,21H,2-3,6-8,10H2,1H3/t12-/m1/s1
InChIKeySGDPENXXEGUKGW-GFCCVEGCSA-N
MW380.41 g/mol
LogP2.85
Rot. Bonds5

About N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide

N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide (PubChem CID 155146240) has the molecular formula C16H20F4N2O2S and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
PubChem CID155146240
Molecular FormulaC16H20F4N2O2S
Molecular Weight380.41 g/mol
Exact Mass380.12
IUPAC NameN-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)N(C[C@H]1CCCN1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H20F4N2O2S/c1-25(23,24)22(10-12-3-2-8-21-12)15(6-7-15)11-4-5-14(17)13(9-11)16(18,19)20/h4-5,9,12,21H,2-3,6-8,10H2,1H3/t12-/m1/s1
InChIKeySGDPENXXEGUKGW-GFCCVEGCSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
CID 155699189
methyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate
CID 163218541
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106622812
tert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-methylsulfonylamino]-2-methylpropan-2-yl]carbamate
CID 155699172
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106618925
4-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 104955156
4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 107287038
3-fluoro-N-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120708923
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 120726654
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608455
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603362

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide (CID 155146240) is N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)N(C[C@H]1CCCN1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide?
The InChIKey is SGDPENXXEGUKGW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20F4N2O2S/c1-25(23,24)22(10-12-3-2-8-21-12)15(6-7-15)11-4-5-14(17)13(9-11)16(18,19)20/h4-5,9,12,21H,2-3,6-8,10H2,1H3/t12-/m1/s1.
What are the key properties of N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide?
N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide has a molecular weight of 380.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 155146240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).