(6-chloro-3-pyridinyl)methanesulfonamide

C6H7ClN2O2S — CID 21498722

IUPAC(6-chloro-3-pyridinyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Cl)nc1
InChIInChI=1S/C6H7ClN2O2S/c7-6-2-1-5(3-9-6)4-12(8,10)11/h1-3H,4H2,(H2,8,10,11)
InChIKeyFXAYLXDXQGKVOB-UHFFFAOYSA-N
MW206.65 g/mol
LogP0.52
Rot. Bonds2

About (6-chloro-3-pyridinyl)methanesulfonamide

(6-chloro-3-pyridinyl)methanesulfonamide (PubChem CID 21498722) has the molecular formula C6H7ClN2O2S and a molecular weight of 206.65 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)methanesulfonamide
PubChem CID21498722
Molecular FormulaC6H7ClN2O2S
Molecular Weight206.65 g/mol
Exact Mass205.99
IUPAC Name(6-chloro-3-pyridinyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Cl)nc1
InChIInChI=1S/C6H7ClN2O2S/c7-6-2-1-5(3-9-6)4-12(8,10)11/h1-3H,4H2,(H2,8,10,11)
InChIKeyFXAYLXDXQGKVOB-UHFFFAOYSA-N
XLogP0.52
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-Pyridineethanesulfonic acid
CID 96722
6-Chloro-N-methyl-3-pyridinemethanamine
CID 11094883
6-Chloro-N,N-diethylpyridine-3-sulfonamide
CID 2433226
2-Chloro-5-methyl-pyridine
CID 581393
5-(Aminomethyl)-2-chloropyridine
CID 7020927
(2-Chloropyridin-4-yl)methanamine
CID 2794167
6-chloro-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 2433231
2-Chloro-5-(pyrrolidine-1-sulfonyl)pyridine
CID 2433223
[1-(6-Chloro-3-pyridinyl)ethyl-methyl-oxo-lambda6-sulfanylidene]cyanamide
CID 24779784
2-Chloro-5-(chloromethyl)pyridine
CID 155479
6-chloro-N-methylpyridine-3-sulfonamide
CID 902063
4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 710402

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)methanesulfonamide?
The IUPAC name of (6-chloro-3-pyridinyl)methanesulfonamide (CID 21498722) is (6-chloro-3-pyridinyl)methanesulfonamide.
What is the SMILES notation for (6-chloro-3-pyridinyl)methanesulfonamide?
The canonical SMILES for (6-chloro-3-pyridinyl)methanesulfonamide is NS(=O)(=O)Cc1ccc(Cl)nc1.
What is the InChIKey of (6-chloro-3-pyridinyl)methanesulfonamide?
The InChIKey is FXAYLXDXQGKVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2S/c7-6-2-1-5(3-9-6)4-12(8,10)11/h1-3H,4H2,(H2,8,10,11).
What are the key properties of (6-chloro-3-pyridinyl)methanesulfonamide?
(6-chloro-3-pyridinyl)methanesulfonamide has a molecular weight of 206.65 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)methanesulfonamide is sourced from PubChem (CID 21498722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).