N-[3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide

C17H23F3N2O3S — CID 124726991

IUPACN-[3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c1
InChIInChI=1S/C17H23F3N2O3S/c1-4-10-26(24,25)21-13-7-5-6-12(11-13)15(23)22-9-8-14(16(22,2)3)17(18,19)20/h5-7,11,14,21H,4,8-10H2,1-3H3/t14-/m1/s1
InChIKeyCLSCCCIQZPAFGI-CQSZACIVSA-N
MW392.44 g/mol
LogP3.64
Rot. Bonds5

About N-[3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide

N-[3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide (PubChem CID 124726991) has the molecular formula C17H23F3N2O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
PubChem CID124726991
Molecular FormulaC17H23F3N2O3S
Molecular Weight392.44 g/mol
Exact Mass392.14
IUPAC NameN-[3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c1
InChIInChI=1S/C17H23F3N2O3S/c1-4-10-26(24,25)21-13-7-5-6-12(11-13)15(23)22-9-8-14(16(22,2)3)17(18,19)20/h5-7,11,14,21H,4,8-10H2,1-3H3/t14-/m1/s1
InChIKeyCLSCCCIQZPAFGI-CQSZACIVSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide (CID 124726991) is N-[3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c1.
What is the InChIKey of N-[3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide?
The InChIKey is CLSCCCIQZPAFGI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23F3N2O3S/c1-4-10-26(24,25)21-13-7-5-6-12(11-13)15(23)22-9-8-14(16(22,2)3)17(18,19)20/h5-7,11,14,21H,4,8-10H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide?
N-[3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide has a molecular weight of 392.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 124726991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).