(4S)-3-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C19H19ClN4O4S — CID 130344752

IUPAC(4S)-3-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(N4C(=O)OC[C@@H]4C(C)C)nc(Cl)nc32)cc1
InChIInChI=1S/C19H19ClN4O4S/c1-11(2)15-10-28-19(25)24(15)17-14-8-9-23(16(14)21-18(20)22-17)29(26,27)13-6-4-12(3)5-7-13/h4-9,11,15H,10H2,1-3H3/t15-/m1/s1
InChIKeyWDRVZRAZYCNVKJ-OAHLLOKOSA-N
MW434.91 g/mol
LogP3.61
Rot. Bonds4

About (4S)-3-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 130344752) has the molecular formula C19H19ClN4O4S and a molecular weight of 434.91 g/mol. Its IUPAC name is (4S)-3-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID130344752
Molecular FormulaC19H19ClN4O4S
Molecular Weight434.91 g/mol
Exact Mass434.08
IUPAC Name(4S)-3-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(N4C(=O)OC[C@@H]4C(C)C)nc(Cl)nc32)cc1
InChIInChI=1S/C19H19ClN4O4S/c1-11(2)15-10-28-19(25)24(15)17-14-8-9-23(16(14)21-18(20)22-17)29(26,27)13-6-4-12(3)5-7-13/h4-9,11,15H,10H2,1-3H3/t15-/m1/s1
InChIKeyWDRVZRAZYCNVKJ-OAHLLOKOSA-N
XLogP3.61
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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2-chloro-4-(5-fluoro-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
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CID 175673414
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(4R)-3-[(3S)-3-benzyl-2-(4-methylphenyl)sulfonyl-2-azabicyclo[2.2.2]oct-5-en-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 130344752) is (4S)-3-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1ccc(S(=O)(=O)n2ccc3c(N4C(=O)OC[C@@H]4C(C)C)nc(Cl)nc32)cc1.
What is the InChIKey of (4S)-3-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is WDRVZRAZYCNVKJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19ClN4O4S/c1-11(2)15-10-28-19(25)24(15)17-14-8-9-23(16(14)21-18(20)22-17)29(26,27)13-6-4-12(3)5-7-13/h4-9,11,15H,10H2,1-3H3/t15-/m1/s1.
What are the key properties of (4S)-3-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 434.91 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 130344752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).