1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one

C25H24ClNO3S — CID 90587776

IUPAC1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H24ClNO3S/c26-21-11-13-22(14-12-21)31(29,30)23-15-16-27(18-23)25(28)17-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23-24H,15-18H2
InChIKeyCXRBQCVBEGLFCN-UHFFFAOYSA-N
MW453.99 g/mol
LogP4.94
Rot. Bonds6

About 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one

1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 90587776) has the molecular formula C25H24ClNO3S and a molecular weight of 453.99 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one
PubChem CID90587776
Molecular FormulaC25H24ClNO3S
Molecular Weight453.99 g/mol
Exact Mass453.12
IUPAC Name1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H24ClNO3S/c26-21-11-13-22(14-12-21)31(29,30)23-15-16-27(18-23)25(28)17-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23-24H,15-18H2
InChIKeyCXRBQCVBEGLFCN-UHFFFAOYSA-N
XLogP4.94
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.99
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-5-phenylpentane-1,5-dione
CID 97417180
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]butan-1-one
CID 90587716
1-[(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one
CID 97417143
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 71806014
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 71805583
2-[3-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 90587749
2-(benzotriazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]ethanone
CID 90587816
2-(1,3-benzoxazol-2-ylsulfanyl)-1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]ethanone
CID 90587773
N-benzhydryl-3-(4-chlorophenyl)sulfonylazetidine-1-carboxamide
CID 90595119
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(3-chloro-4-fluorophenyl)propan-1-one
CID 90586669
4-(4-chlorophenyl)sulfonylpiperidine-1-carbonyl chloride
CID 87288005
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one
CID 90594832

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one (CID 90587776) is 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one is O=C(CC(c1ccccc1)c1ccccc1)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one?
The InChIKey is CXRBQCVBEGLFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO3S/c26-21-11-13-22(14-12-21)31(29,30)23-15-16-27(18-23)25(28)17-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23-24H,15-18H2.
What are the key properties of 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one?
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 453.99 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 90587776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).