3-chloro-4-(4-methylphenyl)sulfonylpyridine

C12H10ClNO2S — CID 102264519

IUPAC3-chloro-4-(4-methylphenyl)sulfonylpyridine
SMILESCc1ccc(S(=O)(=O)c2ccncc2Cl)cc1
InChIInChI=1S/C12H10ClNO2S/c1-9-2-4-10(5-3-9)17(15,16)12-6-7-14-8-11(12)13/h2-8H,1H3
InChIKeyYVEQDQCPSCZQTG-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.88
Rot. Bonds2

About 3-chloro-4-(4-methylphenyl)sulfonylpyridine

3-chloro-4-(4-methylphenyl)sulfonylpyridine (PubChem CID 102264519) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 3-chloro-4-(4-methylphenyl)sulfonylpyridine.

Molecular Properties

Compound Name3-chloro-4-(4-methylphenyl)sulfonylpyridine
PubChem CID102264519
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name3-chloro-4-(4-methylphenyl)sulfonylpyridine
SMILESCc1ccc(S(=O)(=O)c2ccncc2Cl)cc1
InChIInChI=1S/C12H10ClNO2S/c1-9-2-4-10(5-3-9)17(15,16)12-6-7-14-8-11(12)13/h2-8H,1H3
InChIKeyYVEQDQCPSCZQTG-UHFFFAOYSA-N
XLogP2.88
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
3-chloro-N,N-difluoro-4-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 171544892
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine
CID 136512662
N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 66609129
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
3-chloro-4-(3-chloro-2-methylpropyl)sulfonylpyridine
CID 79840721

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-methylphenyl)sulfonylpyridine?
The IUPAC name of 3-chloro-4-(4-methylphenyl)sulfonylpyridine (CID 102264519) is 3-chloro-4-(4-methylphenyl)sulfonylpyridine.
What is the SMILES notation for 3-chloro-4-(4-methylphenyl)sulfonylpyridine?
The canonical SMILES for 3-chloro-4-(4-methylphenyl)sulfonylpyridine is Cc1ccc(S(=O)(=O)c2ccncc2Cl)cc1.
What is the InChIKey of 3-chloro-4-(4-methylphenyl)sulfonylpyridine?
The InChIKey is YVEQDQCPSCZQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-9-2-4-10(5-3-9)17(15,16)12-6-7-14-8-11(12)13/h2-8H,1H3.
What are the key properties of 3-chloro-4-(4-methylphenyl)sulfonylpyridine?
3-chloro-4-(4-methylphenyl)sulfonylpyridine has a molecular weight of 267.74 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-methylphenyl)sulfonylpyridine is sourced from PubChem (CID 102264519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).