3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide

C14H14Cl2N2O2S — CID 43688481

IUPAC3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H14Cl2N2O2S/c1-17-21(19,20)12-4-2-3-11(8-12)18-9-10-5-6-13(15)14(16)7-10/h2-8,17-18H,9H2,1H3
InChIKeyKGXKNUDYHBWFBP-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.51
Rot. Bonds5

About 3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide

3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 43688481) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
PubChem CID43688481
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H14Cl2N2O2S/c1-17-21(19,20)12-4-2-3-11(8-12)18-9-10-5-6-13(15)14(16)7-10/h2-8,17-18H,9H2,1H3
InChIKeyKGXKNUDYHBWFBP-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-[(3-chloro-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 106816341
3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688530
3-(benzylamino)-N-methylbenzenesulfonamide
CID 43688532
3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 105401205
3-[(2,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688508
N-methyl-3-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66399790
3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 43688458
N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline
CID 29298509
3-[(1-ethylpyrrol-3-yl)methylamino]-N-methylbenzenesulfonamide
CID 66416292
3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688489
3-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 115937915
[3-[(3,4-dichlorophenyl)methylamino]phenyl]urea
CID 43744497

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide (CID 43688481) is 3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(NCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is KGXKNUDYHBWFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-17-21(19,20)12-4-2-3-11(8-12)18-9-10-5-6-13(15)14(16)7-10/h2-8,17-18H,9H2,1H3.
What are the key properties of 3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide?
3-[(3,4-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-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 43688481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).