(2R,3S)-2,3-bis(4-chlorophenyl)-8-(3-methylphenyl)sulfonyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one

C26H20Cl2N2O3S — CID 123151257

IUPAC(2R,3S)-2,3-bis(4-chlorophenyl)-8-(3-methylphenyl)sulfonyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
SMILESCc1cccc(S(=O)(=O)c2ccc(=O)n3c2N[C@H](c2ccc(Cl)cc2)[C@@H]3c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H20Cl2N2O3S/c1-16-3-2-4-21(15-16)34(32,33)22-13-14-23(31)30-25(18-7-11-20(28)12-8-18)24(29-26(22)30)17-5-9-19(27)10-6-17/h2-15,24-25,29H,1H3/t24-,25+/m1/s1
InChIKeyWGLZOFBOUHYSLE-RPBOFIJWSA-N
MW511.43 g/mol
LogP6.05
Rot. Bonds4

About (2R,3S)-2,3-bis(4-chlorophenyl)-8-(3-methylphenyl)sulfonyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one

(2R,3S)-2,3-bis(4-chlorophenyl)-8-(3-methylphenyl)sulfonyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 123151257) has the molecular formula C26H20Cl2N2O3S and a molecular weight of 511.43 g/mol. Its IUPAC name is (2R,3S)-2,3-bis(4-chlorophenyl)-8-(3-methylphenyl)sulfonyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name(2R,3S)-2,3-bis(4-chlorophenyl)-8-(3-methylphenyl)sulfonyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID123151257
Molecular FormulaC26H20Cl2N2O3S
Molecular Weight511.43 g/mol
Exact Mass510.06
IUPAC Name(2R,3S)-2,3-bis(4-chlorophenyl)-8-(3-methylphenyl)sulfonyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
SMILESCc1cccc(S(=O)(=O)c2ccc(=O)n3c2N[C@H](c2ccc(Cl)cc2)[C@@H]3c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H20Cl2N2O3S/c1-16-3-2-4-21(15-16)34(32,33)22-13-14-23(31)30-25(18-7-11-20(28)12-8-18)24(29-26(22)30)17-5-9-19(27)10-6-17/h2-15,24-25,29H,1H3/t24-,25+/m1/s1
InChIKeyWGLZOFBOUHYSLE-RPBOFIJWSA-N
XLogP6.05
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.43
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-1-(3-chloro-2-methylphenyl)sulfonyl-2,3-bis(4-chlorophenyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 25051587
1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine
CID 23820476
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
3-methyl-6-(3-methylphenyl)sulfonylbenzene-1,2-diol
CID 101301677
3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536930
1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene
CID 5134322
(2R,3S)-2,3-bis(4-chlorophenyl)-1-thiophen-3-ylsulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 25050415
2-(4-chlorophenyl)-4-(3-methylphenyl)sulfonyloxolane
CID 118443618
3-(4-chlorophenyl)-2-(3-chlorophenyl)sulfonyl-1,5-dimethyl-4-phenyl-3H-pyrazole
CID 141173984
(2R,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane
CID 118443624
(2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane
CID 118443628
(2S)-1-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 95078859

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-bis(4-chlorophenyl)-8-(3-methylphenyl)sulfonyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of (2R,3S)-2,3-bis(4-chlorophenyl)-8-(3-methylphenyl)sulfonyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one (CID 123151257) is (2R,3S)-2,3-bis(4-chlorophenyl)-8-(3-methylphenyl)sulfonyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for (2R,3S)-2,3-bis(4-chlorophenyl)-8-(3-methylphenyl)sulfonyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for (2R,3S)-2,3-bis(4-chlorophenyl)-8-(3-methylphenyl)sulfonyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one is Cc1cccc(S(=O)(=O)c2ccc(=O)n3c2N[C@H](c2ccc(Cl)cc2)[C@@H]3c2ccc(Cl)cc2)c1.
What is the InChIKey of (2R,3S)-2,3-bis(4-chlorophenyl)-8-(3-methylphenyl)sulfonyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is WGLZOFBOUHYSLE-RPBOFIJWSA-N. The full InChI is InChI=1S/C26H20Cl2N2O3S/c1-16-3-2-4-21(15-16)34(32,33)22-13-14-23(31)30-25(18-7-11-20(28)12-8-18)24(29-26(22)30)17-5-9-19(27)10-6-17/h2-15,24-25,29H,1H3/t24-,25+/m1/s1.
What are the key properties of (2R,3S)-2,3-bis(4-chlorophenyl)-8-(3-methylphenyl)sulfonyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
(2R,3S)-2,3-bis(4-chlorophenyl)-8-(3-methylphenyl)sulfonyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 511.43 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-bis(4-chlorophenyl)-8-(3-methylphenyl)sulfonyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 123151257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).