(3-methyl-4-pyridinyl)methanesulfonyl chloride

C7H8ClNO2S — CID 130516221

IUPAC(3-methyl-4-pyridinyl)methanesulfonyl chloride
SMILESCc1cnccc1CS(=O)(=O)Cl
InChIInChI=1S/C7H8ClNO2S/c1-6-4-9-3-2-7(6)5-12(8,10)11/h2-4H,5H2,1H3
InChIKeyQBBLHHOMRXXAGM-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.46
Rot. Bonds2

About (3-methyl-4-pyridinyl)methanesulfonyl chloride

(3-methyl-4-pyridinyl)methanesulfonyl chloride (PubChem CID 130516221) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is (3-methyl-4-pyridinyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-methyl-4-pyridinyl)methanesulfonyl chloride
PubChem CID130516221
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC Name(3-methyl-4-pyridinyl)methanesulfonyl chloride
SMILESCc1cnccc1CS(=O)(=O)Cl
InChIInChI=1S/C7H8ClNO2S/c1-6-4-9-3-2-7(6)5-12(8,10)11/h2-4H,5H2,1H3
InChIKeyQBBLHHOMRXXAGM-UHFFFAOYSA-N
XLogP1.46
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-pyridinyl)methanesulfonyl chloride
CID 84677272
pyridin-3-ylmethanesulfonyl chloride
CID 4658302
isoquinolin-8-ylmethanesulfonyl chloride
CID 84702854
4-(2-chloroethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114701663
4-amino-2,6-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698306
4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698288
3-bromo-4-chloro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106546814
N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide
CID 114701597
3-(3-methyl-4-pyridinyl)propanoic acid
CID 66322322
N,N-dimethyl-2-(3-methyl-4-pyridinyl)acetamide
CID 130131962
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
5-amino-2-chloro-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698332

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-pyridinyl)methanesulfonyl chloride?
The IUPAC name of (3-methyl-4-pyridinyl)methanesulfonyl chloride (CID 130516221) is (3-methyl-4-pyridinyl)methanesulfonyl chloride.
What is the SMILES notation for (3-methyl-4-pyridinyl)methanesulfonyl chloride?
The canonical SMILES for (3-methyl-4-pyridinyl)methanesulfonyl chloride is Cc1cnccc1CS(=O)(=O)Cl.
What is the InChIKey of (3-methyl-4-pyridinyl)methanesulfonyl chloride?
The InChIKey is QBBLHHOMRXXAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c1-6-4-9-3-2-7(6)5-12(8,10)11/h2-4H,5H2,1H3.
What are the key properties of (3-methyl-4-pyridinyl)methanesulfonyl chloride?
(3-methyl-4-pyridinyl)methanesulfonyl chloride has a molecular weight of 205.67 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-pyridinyl)methanesulfonyl chloride is sourced from PubChem (CID 130516221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).