1,6-naphthyridin-3-ylmethanesulfonyl chloride

C9H7ClN2O2S — CID 84801776

IUPAC1,6-naphthyridin-3-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cnc2ccncc2c1
InChIInChI=1S/C9H7ClN2O2S/c10-15(13,14)6-7-3-8-5-11-2-1-9(8)12-4-7/h1-5H,6H2
InChIKeyBFCXNBFNFCQLGB-UHFFFAOYSA-N
MW242.69 g/mol
LogP1.70
Rot. Bonds2

About 1,6-naphthyridin-3-ylmethanesulfonyl chloride

1,6-naphthyridin-3-ylmethanesulfonyl chloride (PubChem CID 84801776) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is 1,6-naphthyridin-3-ylmethanesulfonyl chloride.

Molecular Properties

Compound Name1,6-naphthyridin-3-ylmethanesulfonyl chloride
PubChem CID84801776
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name1,6-naphthyridin-3-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cnc2ccncc2c1
InChIInChI=1S/C9H7ClN2O2S/c10-15(13,14)6-7-3-8-5-11-2-1-9(8)12-4-7/h1-5H,6H2
InChIKeyBFCXNBFNFCQLGB-UHFFFAOYSA-N
XLogP1.70
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,6-naphthyridin-3-ylmethanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,6-naphthyridin-3-yl)acetic acid
CID 84770667
1-[2-(1,6-naphthyridin-3-yl)ethyl]cyclopropan-1-amine
CID 105467012
pyridin-3-ylmethanesulfonyl chloride
CID 4658302
ethane;3-ethyl-1,7-naphthyridine
CID 169252229
hydron;N-(1,6-naphthyridin-3-yl)formamide
CID 174959508
isoquinolin-8-ylmethanesulfonyl chloride
CID 84702854
(3-fluoro-4-pyridinyl)methanesulfonyl chloride
CID 84677272
(3-methyl-4-pyridinyl)methanesulfonyl chloride
CID 130516221
1,6-naphthyridine-3-carboxylate
CID 19816512
[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride
CID 18676560
thieno[2,3-c]pyridine-2-sulfonyl chloride
CID 55279837
N-propan-2-yl-1,6-naphthyridin-3-amine
CID 58584184

Frequently Asked Questions

What is the IUPAC name of 1,6-naphthyridin-3-ylmethanesulfonyl chloride?
The IUPAC name of 1,6-naphthyridin-3-ylmethanesulfonyl chloride (CID 84801776) is 1,6-naphthyridin-3-ylmethanesulfonyl chloride.
What is the SMILES notation for 1,6-naphthyridin-3-ylmethanesulfonyl chloride?
The canonical SMILES for 1,6-naphthyridin-3-ylmethanesulfonyl chloride is O=S(=O)(Cl)Cc1cnc2ccncc2c1.
What is the InChIKey of 1,6-naphthyridin-3-ylmethanesulfonyl chloride?
The InChIKey is BFCXNBFNFCQLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c10-15(13,14)6-7-3-8-5-11-2-1-9(8)12-4-7/h1-5H,6H2.
What are the key properties of 1,6-naphthyridin-3-ylmethanesulfonyl chloride?
1,6-naphthyridin-3-ylmethanesulfonyl chloride has a molecular weight of 242.69 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-naphthyridin-3-ylmethanesulfonyl chloride is sourced from PubChem (CID 84801776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).