N-[(3R)-1-[(5-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide

C22H23F3N4O3S — CID 130225346

IUPACN-[(3R)-1-[(5-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESCc1c(CN2CC[C@@H](NS(=O)(=O)c3cccc(OC(F)(F)F)c3)C2)cnn1-c1ccccc1
InChIInChI=1S/C22H23F3N4O3S/c1-16-17(13-26-29(16)19-6-3-2-4-7-19)14-28-11-10-18(15-28)27-33(30,31)21-9-5-8-20(12-21)32-22(23,24)25/h2-9,12-13,18,27H,10-11,14-15H2,1H3/t18-/m1/s1
InChIKeySLADDVWETWTTOH-GOSISDBHSA-N
MW480.51 g/mol
LogP3.63
Rot. Bonds7

About N-[(3R)-1-[(5-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide

N-[(3R)-1-[(5-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 130225346) has the molecular formula C22H23F3N4O3S and a molecular weight of 480.51 g/mol. Its IUPAC name is N-[(3R)-1-[(5-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-[(5-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID130225346
Molecular FormulaC22H23F3N4O3S
Molecular Weight480.51 g/mol
Exact Mass480.14
IUPAC NameN-[(3R)-1-[(5-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESCc1c(CN2CC[C@@H](NS(=O)(=O)c3cccc(OC(F)(F)F)c3)C2)cnn1-c1ccccc1
InChIInChI=1S/C22H23F3N4O3S/c1-16-17(13-26-29(16)19-6-3-2-4-7-19)14-28-11-10-18(15-28)27-33(30,31)21-9-5-8-20(12-21)32-22(23,24)25/h2-9,12-13,18,27H,10-11,14-15H2,1H3/t18-/m1/s1
InChIKeySLADDVWETWTTOH-GOSISDBHSA-N
XLogP3.63
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1-[[4-(4-methylphenyl)phenyl]methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 130211571
N-[(3R)-1-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 130224647
3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide
CID 48946307
3-N-(1-benzylpyrrolidin-3-yl)benzene-1,3-disulfonamide
CID 55512031
N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide
CID 63320915
N-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide
CID 6736919
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 141223964
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 47034075
N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 75470933
3-cyano-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide
CID 94764478

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(5-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(3R)-1-[(5-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide (CID 130225346) is N-[(3R)-1-[(5-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(3R)-1-[(5-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(3R)-1-[(5-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide is Cc1c(CN2CC[C@@H](NS(=O)(=O)c3cccc(OC(F)(F)F)c3)C2)cnn1-c1ccccc1.
What is the InChIKey of N-[(3R)-1-[(5-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is SLADDVWETWTTOH-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23F3N4O3S/c1-16-17(13-26-29(16)19-6-3-2-4-7-19)14-28-11-10-18(15-28)27-33(30,31)21-9-5-8-20(12-21)32-22(23,24)25/h2-9,12-13,18,27H,10-11,14-15H2,1H3/t18-/m1/s1.
What are the key properties of N-[(3R)-1-[(5-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide?
N-[(3R)-1-[(5-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 480.51 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(5-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 130225346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).