2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide

C14H15ClN2O3S — CID 61052630

IUPAC2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCOc1ccccc1CN(C)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C14H15ClN2O3S/c1-17(10-11-6-3-4-7-12(11)20-2)21(18,19)13-8-5-9-16-14(13)15/h3-9H,10H2,1-2H3
InChIKeyVMOAHOCEOQNJMU-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.56
Rot. Bonds5

About 2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide

2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide (PubChem CID 61052630) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
PubChem CID61052630
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCOc1ccccc1CN(C)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C14H15ClN2O3S/c1-17(10-11-6-3-4-7-12(11)20-2)21(18,19)13-8-5-9-16-14(13)15/h3-9H,10H2,1-2H3
InChIKeyVMOAHOCEOQNJMU-UHFFFAOYSA-N
XLogP2.56
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 43414928
2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 43564507
2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 61047622
2-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide
CID 64517471
2-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-sulfonamide
CID 61052637
3-amino-N-[(2-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 61110803
N-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide
CID 61045073
2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide
CID 43456976
2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 112698550
3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 55008419
4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30328481
methyl 4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoate
CID 61047612

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide (CID 61052630) is 2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide is COc1ccccc1CN(C)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is VMOAHOCEOQNJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-17(10-11-6-3-4-7-12(11)20-2)21(18,19)13-8-5-9-16-14(13)15/h3-9H,10H2,1-2H3.
What are the key properties of 2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide?
2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 61052630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).