CID 154665316

C23H26ClF2N2O3S+ — CID 154665316

IUPAC—
SMILESCC[S+](=O)(O)N[C@H]1[C@@H](F)CN(C(=O)C2CC2)[C@H]1Cc1cccc(-c2cccc(Cl)c2)c1F
InChIInChI=1S/C23H25ClF2N2O3S/c1-2-32(30,31)27-22-19(25)13-28(23(29)14-9-10-14)20(22)12-16-6-4-8-18(21(16)26)15-5-3-7-17(24)11-15/h3-8,11,14,19-20,22H,2,9-10,12-13H2,1H3,(H-,27,30,31)/p+1/t19-,20-,22-/m0/s1
InChIKeyQSLNXIGBCPIMRD-ONTIZHBOSA-O
MW483.99 g/mol
LogP4.51
Rot. Bonds7

About CID 154665316

CID 154665316 (PubChem CID 154665316) has the molecular formula C23H26ClF2N2O3S+ and a molecular weight of 483.99 g/mol.

Molecular Properties

Compound NameCID 154665316
PubChem CID154665316
Molecular FormulaC23H26ClF2N2O3S+
Molecular Weight483.99 g/mol
Exact Mass483.13
IUPAC Name—
SMILESCC[S+](=O)(O)N[C@H]1[C@@H](F)CN(C(=O)C2CC2)[C@H]1Cc1cccc(-c2cccc(Cl)c2)c1F
InChIInChI=1S/C23H25ClF2N2O3S/c1-2-32(30,31)27-22-19(25)13-28(23(29)14-9-10-14)20(22)12-16-6-4-8-18(21(16)26)15-5-3-7-17(24)11-15/h3-8,11,14,19-20,22H,2,9-10,12-13H2,1H3,(H-,27,30,31)/p+1/t19-,20-,22-/m0/s1
InChIKeyQSLNXIGBCPIMRD-ONTIZHBOSA-O
XLogP4.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.99
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

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1-butyl-N-[1-[(2S)-4-[(3-chlorophenyl)methylsulfonyl]piperazin-2-yl]-3-(3,5-difluorophenyl)propan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 70337580
N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[[2,5-difluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-3-yl]ethanesulfonamide
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N-[(2R,3R)-1-(2,2-difluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137460853
N-[(2S,3S)-1-(2,2-difluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137460856
N-[1-(2,2-difluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137460857
N-[(2S,3S)-2-[[3-(3-chloro-5-fluorophenyl)-2-fluorophenyl]methyl]-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 137460951
N-[(2S,3S)-2-[[3-(3-chloro-5-fluorophenyl)-2-fluorophenyl]methyl]-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]ethanesulfonamide
CID 137460960
(2S,3S)-2-[[3-(3-chlorophenyl)-2-fluorophenyl]methyl]-3-(methanesulfonamido)-N,N-dimethylpyrrolidine-1-carboxamide
CID 137461048
N-[(2R,3R)-1-(2-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of CID 154665316?
The IUPAC name of CID 154665316 (CID 154665316) is not available.
What is the SMILES notation for CID 154665316?
The canonical SMILES for CID 154665316 is CC[S+](=O)(O)N[C@H]1[C@@H](F)CN(C(=O)C2CC2)[C@H]1Cc1cccc(-c2cccc(Cl)c2)c1F.
What is the InChIKey of CID 154665316?
The InChIKey is QSLNXIGBCPIMRD-ONTIZHBOSA-O. The full InChI is InChI=1S/C23H25ClF2N2O3S/c1-2-32(30,31)27-22-19(25)13-28(23(29)14-9-10-14)20(22)12-16-6-4-8-18(21(16)26)15-5-3-7-17(24)11-15/h3-8,11,14,19-20,22H,2,9-10,12-13H2,1H3,(H-,27,30,31)/p+1/t19-,20-,22-/m0/s1.
What are the key properties of CID 154665316?
CID 154665316 has a molecular weight of 483.99 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154665316 is sourced from PubChem (CID 154665316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).