6-propylsulfonylpyridine-3-sulfonyl chloride

C8H10ClNO4S2 — CID 112572832

IUPAC6-propylsulfonylpyridine-3-sulfonyl chloride
SMILESCCCS(=O)(=O)c1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C8H10ClNO4S2/c1-2-5-15(11,12)8-4-3-7(6-10-8)16(9,13)14/h3-4,6H,2,5H2,1H3
InChIKeyMSQZBXXHBUYCIC-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.19
Rot. Bonds4

About 6-propylsulfonylpyridine-3-sulfonyl chloride

6-propylsulfonylpyridine-3-sulfonyl chloride (PubChem CID 112572832) has the molecular formula C8H10ClNO4S2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 6-propylsulfonylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-propylsulfonylpyridine-3-sulfonyl chloride
PubChem CID112572832
Molecular FormulaC8H10ClNO4S2
Molecular Weight283.76 g/mol
Exact Mass282.97
IUPAC Name6-propylsulfonylpyridine-3-sulfonyl chloride
SMILESCCCS(=O)(=O)c1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C8H10ClNO4S2/c1-2-5-15(11,12)8-4-3-7(6-10-8)16(9,13)14/h3-4,6H,2,5H2,1H3
InChIKeyMSQZBXXHBUYCIC-UHFFFAOYSA-N
XLogP1.19
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethylsulfonylpyridine-3-sulfonyl chloride
CID 112572830
6-ethylsulfanylpyridine-3-sulfonyl chloride
CID 117167905
6-(hydroxymethyl)pyridine-3-sulfonyl chloride
CID 59177257
5-ethylpyridine-2-sulfonyl chloride
CID 130115711
2-propylsulfonylpyridine tetrafluoroborate
CID 175603723
6-(2-chlorophenyl)pyridine-3-sulfonyl chloride
CID 82307697
4-(2-propoxyethoxy)benzenesulfonyl chloride
CID 87522161
2-chloro-6-propylsulfonylpyrazine
CID 177283399
3-[(5-butyl-2-pyridinyl)sulfonyl]propan-1-ol
CID 89464997
ethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate
CID 107334856
2-(3,4-dichlorophenoxy)-5-propylsulfonylpyridine
CID 70534531
4-propylsulfonylbenzenesulfonic acid
CID 163962227

Frequently Asked Questions

What is the IUPAC name of 6-propylsulfonylpyridine-3-sulfonyl chloride?
The IUPAC name of 6-propylsulfonylpyridine-3-sulfonyl chloride (CID 112572832) is 6-propylsulfonylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-propylsulfonylpyridine-3-sulfonyl chloride?
The canonical SMILES for 6-propylsulfonylpyridine-3-sulfonyl chloride is CCCS(=O)(=O)c1ccc(S(=O)(=O)Cl)cn1.
What is the InChIKey of 6-propylsulfonylpyridine-3-sulfonyl chloride?
The InChIKey is MSQZBXXHBUYCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO4S2/c1-2-5-15(11,12)8-4-3-7(6-10-8)16(9,13)14/h3-4,6H,2,5H2,1H3.
What are the key properties of 6-propylsulfonylpyridine-3-sulfonyl chloride?
6-propylsulfonylpyridine-3-sulfonyl chloride has a molecular weight of 283.76 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propylsulfonylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 112572832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).