5-chloro-4-(dimethylamino)pyridine-2-sulfonyl chloride

C7H8Cl2N2O2S — CID 84708508

IUPAC5-chloro-4-(dimethylamino)pyridine-2-sulfonyl chloride
SMILESCN(C)c1cc(S(=O)(=O)Cl)ncc1Cl
InChIInChI=1S/C7H8Cl2N2O2S/c1-11(2)6-3-7(14(9,12)13)10-4-5(6)8/h3-4H,1-2H3
InChIKeyNSMKWFNQQUVHEZ-UHFFFAOYSA-N
MW255.13 g/mol
LogP1.73
Rot. Bonds2

About 5-chloro-4-(dimethylamino)pyridine-2-sulfonyl chloride

5-chloro-4-(dimethylamino)pyridine-2-sulfonyl chloride (PubChem CID 84708508) has the molecular formula C7H8Cl2N2O2S and a molecular weight of 255.13 g/mol. Its IUPAC name is 5-chloro-4-(dimethylamino)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-4-(dimethylamino)pyridine-2-sulfonyl chloride
PubChem CID84708508
Molecular FormulaC7H8Cl2N2O2S
Molecular Weight255.13 g/mol
Exact Mass253.97
IUPAC Name5-chloro-4-(dimethylamino)pyridine-2-sulfonyl chloride
SMILESCN(C)c1cc(S(=O)(=O)Cl)ncc1Cl
InChIInChI=1S/C7H8Cl2N2O2S/c1-11(2)6-3-7(14(9,12)13)10-4-5(6)8/h3-4H,1-2H3
InChIKeyNSMKWFNQQUVHEZ-UHFFFAOYSA-N
XLogP1.73
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.13
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(dimethylamino)pyridine-2-sulfonyl chloride?
The IUPAC name of 5-chloro-4-(dimethylamino)pyridine-2-sulfonyl chloride (CID 84708508) is 5-chloro-4-(dimethylamino)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-chloro-4-(dimethylamino)pyridine-2-sulfonyl chloride?
The canonical SMILES for 5-chloro-4-(dimethylamino)pyridine-2-sulfonyl chloride is CN(C)c1cc(S(=O)(=O)Cl)ncc1Cl.
What is the InChIKey of 5-chloro-4-(dimethylamino)pyridine-2-sulfonyl chloride?
The InChIKey is NSMKWFNQQUVHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O2S/c1-11(2)6-3-7(14(9,12)13)10-4-5(6)8/h3-4H,1-2H3.
What are the key properties of 5-chloro-4-(dimethylamino)pyridine-2-sulfonyl chloride?
5-chloro-4-(dimethylamino)pyridine-2-sulfonyl chloride has a molecular weight of 255.13 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(dimethylamino)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 84708508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).