2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide

C13H11Cl3N2O2S — CID 61047622

IUPAC2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H11Cl3N2O2S/c1-18(8-9-5-10(14)7-11(15)6-9)21(19,20)12-3-2-4-17-13(12)16/h2-7H,8H2,1H3
InChIKeyMTHAEUUIYFAKPQ-UHFFFAOYSA-N
MW365.67 g/mol
LogP3.86
Rot. Bonds4

About 2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide

2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide (PubChem CID 61047622) has the molecular formula C13H11Cl3N2O2S and a molecular weight of 365.67 g/mol. Its IUPAC name is 2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
PubChem CID61047622
Molecular FormulaC13H11Cl3N2O2S
Molecular Weight365.67 g/mol
Exact Mass363.96
IUPAC Name2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H11Cl3N2O2S/c1-18(8-9-5-10(14)7-11(15)6-9)21(19,20)12-3-2-4-17-13(12)16/h2-7H,8H2,1H3
InChIKeyMTHAEUUIYFAKPQ-UHFFFAOYSA-N
XLogP3.86
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.67
LogP ≤ 53.86
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-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 43564507
N-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide
CID 61045073
2-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-sulfonamide
CID 61052637
N-[(3,5-dichlorophenyl)methyl]-2-methoxy-N-methylbenzenesulfonamide
CID 166187697
2-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide
CID 64517471
2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 61052630
2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide
CID 43456976
2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 112698550
4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid
CID 43422935
3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 55008419
methyl 3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoate
CID 61046465
methyl 4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoate
CID 61047612

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide (CID 61047622) is 2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide is CN(Cc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is MTHAEUUIYFAKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O2S/c1-18(8-9-5-10(14)7-11(15)6-9)21(19,20)12-3-2-4-17-13(12)16/h2-7H,8H2,1H3.
What are the key properties of 2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 365.67 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 61047622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).