2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide

C14H14Cl2N2O2S — CID 61047048

IUPAC2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
SMILESCC(c1ccccc1Cl)N(C)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-10(11-6-3-4-7-12(11)15)18(2)21(19,20)13-8-5-9-17-14(13)16/h3-10H,1-2H3
InChIKeyBZTFHBJZUGSDJA-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.77
Rot. Bonds4

About 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide

2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide (PubChem CID 61047048) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
PubChem CID61047048
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
SMILESCC(c1ccccc1Cl)N(C)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-10(11-6-3-4-7-12(11)15)18(2)21(19,20)13-8-5-9-17-14(13)16/h3-10H,1-2H3
InChIKeyBZTFHBJZUGSDJA-UHFFFAOYSA-N
XLogP3.77
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide
CID 62980507
N-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide
CID 139014984
N-[1-(2-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692112
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide
CID 61046860
6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 62980326
3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 55008419
2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 61047395
3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 61059692
5-bromo-N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyltriazole-4-sulfonamide
CID 106467728
2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
CID 61046113
2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 138999711
methyl 3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoate
CID 61046465

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide (CID 61047048) is 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide is CC(c1ccccc1Cl)N(C)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is BZTFHBJZUGSDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-10(11-6-3-4-7-12(11)15)18(2)21(19,20)13-8-5-9-17-14(13)16/h3-10H,1-2H3.
What are the key properties of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide?
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 61047048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).