3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide

C14H14Cl2N2O2S — CID 43688530

IUPAC3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C14H14Cl2N2O2S/c1-17-21(19,20)11-5-2-4-10(8-11)18-9-12-13(15)6-3-7-14(12)16/h2-8,17-18H,9H2,1H3
InChIKeyMZTFKXPSISEQAG-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.51
Rot. Bonds5

About 3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide

3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 43688530) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
PubChem CID43688530
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C14H14Cl2N2O2S/c1-17-21(19,20)11-5-2-4-10(8-11)18-9-12-13(15)6-3-7-14(12)16/h2-8,17-18H,9H2,1H3
InChIKeyMZTFKXPSISEQAG-UHFFFAOYSA-N
XLogP3.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688489
3-[(2,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688508
3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688481
3-[(3-chloro-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 106816341
3-(benzylamino)-N-methylbenzenesulfonamide
CID 43688532
3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 43688458
3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 43688507
N-methyl-3-(2-methylpropylamino)benzenesulfonamide
CID 43688509
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
3-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 115937915
N-methyl-3-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66399790
3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 105401205

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide (CID 43688530) is 3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(NCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is MZTFKXPSISEQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-17-21(19,20)11-5-2-4-10(8-11)18-9-12-13(15)6-3-7-14(12)16/h2-8,17-18H,9H2,1H3.
What are the key properties of 3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide?
3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 43688530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).