1-chloro-N-(6-cyano-3-pyridinyl)methanesulfonamide

C7H6ClN3O2S — CID 164647854

IUPAC1-chloro-N-(6-cyano-3-pyridinyl)methanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)CCl)cn1
InChIInChI=1S/C7H6ClN3O2S/c8-5-14(12,13)11-7-2-1-6(3-9)10-4-7/h1-2,4,11H,5H2
InChIKeyXGNSWLWXRLOKIH-UHFFFAOYSA-N
MW231.66 g/mol
LogP0.89
Rot. Bonds3

About 1-chloro-N-(6-cyano-3-pyridinyl)methanesulfonamide

1-chloro-N-(6-cyano-3-pyridinyl)methanesulfonamide (PubChem CID 164647854) has the molecular formula C7H6ClN3O2S and a molecular weight of 231.66 g/mol. Its IUPAC name is 1-chloro-N-(6-cyano-3-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(6-cyano-3-pyridinyl)methanesulfonamide
PubChem CID164647854
Molecular FormulaC7H6ClN3O2S
Molecular Weight231.66 g/mol
Exact Mass230.99
IUPAC Name1-chloro-N-(6-cyano-3-pyridinyl)methanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)CCl)cn1
InChIInChI=1S/C7H6ClN3O2S/c8-5-14(12,13)11-7-2-1-6(3-9)10-4-7/h1-2,4,11H,5H2
InChIKeyXGNSWLWXRLOKIH-UHFFFAOYSA-N
XLogP0.89
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.66
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide
CID 63664967
1-chloro-N-(3-chloro-4-cyanophenyl)methanesulfonamide
CID 63664296
1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide
CID 163924454
6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
5-[(4-methylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 79840062
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide
CID 115602123
5-[(4-ethylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 100675654
5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103736721
4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide
CID 79834241
1-chloro-N-(4-hydroxyphenyl)methanesulfonamide
CID 63666171
4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide
CID 103080603

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(6-cyano-3-pyridinyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(6-cyano-3-pyridinyl)methanesulfonamide (CID 164647854) is 1-chloro-N-(6-cyano-3-pyridinyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(6-cyano-3-pyridinyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(6-cyano-3-pyridinyl)methanesulfonamide is N#Cc1ccc(NS(=O)(=O)CCl)cn1.
What is the InChIKey of 1-chloro-N-(6-cyano-3-pyridinyl)methanesulfonamide?
The InChIKey is XGNSWLWXRLOKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O2S/c8-5-14(12,13)11-7-2-1-6(3-9)10-4-7/h1-2,4,11H,5H2.
What are the key properties of 1-chloro-N-(6-cyano-3-pyridinyl)methanesulfonamide?
1-chloro-N-(6-cyano-3-pyridinyl)methanesulfonamide has a molecular weight of 231.66 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(6-cyano-3-pyridinyl)methanesulfonamide is sourced from PubChem (CID 164647854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).