3-(benzenesulfonyl)-2-[(R)-(4-chlorophenyl)sulfinyl]-4,6-dimethylpyridine

C19H16ClNO3S2 — CID 34365759

IUPAC3-(benzenesulfonyl)-2-[(R)-(4-chlorophenyl)sulfinyl]-4,6-dimethylpyridine
SMILESCc1cc(C)c(S(=O)(=O)c2ccccc2)c([S@](=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H16ClNO3S2/c1-13-12-14(2)21-19(25(22)16-10-8-15(20)9-11-16)18(13)26(23,24)17-6-4-3-5-7-17/h3-12H,1-2H3/t25-/m1/s1
InChIKeyFJMUGAADKDDRKY-RUZDIDTESA-N
MW405.93 g/mol
LogP4.35
Rot. Bonds4

About 3-(benzenesulfonyl)-2-[(R)-(4-chlorophenyl)sulfinyl]-4,6-dimethylpyridine

3-(benzenesulfonyl)-2-[(R)-(4-chlorophenyl)sulfinyl]-4,6-dimethylpyridine (PubChem CID 34365759) has the molecular formula C19H16ClNO3S2 and a molecular weight of 405.93 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-[(R)-(4-chlorophenyl)sulfinyl]-4,6-dimethylpyridine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-[(R)-(4-chlorophenyl)sulfinyl]-4,6-dimethylpyridine
PubChem CID34365759
Molecular FormulaC19H16ClNO3S2
Molecular Weight405.93 g/mol
Exact Mass405.03
IUPAC Name3-(benzenesulfonyl)-2-[(R)-(4-chlorophenyl)sulfinyl]-4,6-dimethylpyridine
SMILESCc1cc(C)c(S(=O)(=O)c2ccccc2)c([S@](=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H16ClNO3S2/c1-13-12-14(2)21-19(25(22)16-10-8-15(20)9-11-16)18(13)26(23,24)17-6-4-3-5-7-17/h3-12H,1-2H3/t25-/m1/s1
InChIKeyFJMUGAADKDDRKY-RUZDIDTESA-N
XLogP4.35
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-[(R)-(4-chlorophenyl)sulfinyl]-4,6-dimethylpyridine?
The IUPAC name of 3-(benzenesulfonyl)-2-[(R)-(4-chlorophenyl)sulfinyl]-4,6-dimethylpyridine (CID 34365759) is 3-(benzenesulfonyl)-2-[(R)-(4-chlorophenyl)sulfinyl]-4,6-dimethylpyridine.
What is the SMILES notation for 3-(benzenesulfonyl)-2-[(R)-(4-chlorophenyl)sulfinyl]-4,6-dimethylpyridine?
The canonical SMILES for 3-(benzenesulfonyl)-2-[(R)-(4-chlorophenyl)sulfinyl]-4,6-dimethylpyridine is Cc1cc(C)c(S(=O)(=O)c2ccccc2)c([S@](=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 3-(benzenesulfonyl)-2-[(R)-(4-chlorophenyl)sulfinyl]-4,6-dimethylpyridine?
The InChIKey is FJMUGAADKDDRKY-RUZDIDTESA-N. The full InChI is InChI=1S/C19H16ClNO3S2/c1-13-12-14(2)21-19(25(22)16-10-8-15(20)9-11-16)18(13)26(23,24)17-6-4-3-5-7-17/h3-12H,1-2H3/t25-/m1/s1.
What are the key properties of 3-(benzenesulfonyl)-2-[(R)-(4-chlorophenyl)sulfinyl]-4,6-dimethylpyridine?
3-(benzenesulfonyl)-2-[(R)-(4-chlorophenyl)sulfinyl]-4,6-dimethylpyridine has a molecular weight of 405.93 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-[(R)-(4-chlorophenyl)sulfinyl]-4,6-dimethylpyridine is sourced from PubChem (CID 34365759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).