N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide

C10H14Cl2N2O2S — CID 106059504

IUPACN-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S/c1-13-5-2-6-17(15,16)14-8-3-4-9(11)10(12)7-8/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyGLXBAMUVHFMZDZ-UHFFFAOYSA-N
MW297.21 g/mol
LogP2.34
Rot. Bonds6

About N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide

N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide (PubChem CID 106059504) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide
PubChem CID106059504
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC NameN-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S/c1-13-5-2-6-17(15,16)14-8-3-4-9(11)10(12)7-8/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyGLXBAMUVHFMZDZ-UHFFFAOYSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-chlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114141645
N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106060812
3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide
CID 60910481
N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106047989
N-(4-bromo-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106058558
N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114141118
N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 114138792
N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106086490
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(methylamino)propane-1-sulfonamide
CID 106059443
3,4-dichloro-N-(3-ethylsulfonylpropyl)aniline
CID 65093988
N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106087751
N-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide
CID 19070380

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide (CID 106059504) is N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide is CNCCCS(=O)(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide?
The InChIKey is GLXBAMUVHFMZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S/c1-13-5-2-6-17(15,16)14-8-3-4-9(11)10(12)7-8/h3-4,7,13-14H,2,5-6H2,1H3.
What are the key properties of N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide?
N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide has a molecular weight of 297.21 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide is sourced from PubChem (CID 106059504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).