1-(methylamino)-N-(2,4,6-trichlorophenyl)propane-2-sulfonamide

C10H13Cl3N2O2S — CID 114136213

IUPAC1-(methylamino)-N-(2,4,6-trichlorophenyl)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl3N2O2S/c1-6(5-14-2)18(16,17)15-10-8(12)3-7(11)4-9(10)13/h3-4,6,14-15H,5H2,1-2H3
InChIKeyPAUWAOXSXGUJHP-UHFFFAOYSA-N
MW331.65 g/mol
LogP3.00
Rot. Bonds5

About 1-(methylamino)-N-(2,4,6-trichlorophenyl)propane-2-sulfonamide

1-(methylamino)-N-(2,4,6-trichlorophenyl)propane-2-sulfonamide (PubChem CID 114136213) has the molecular formula C10H13Cl3N2O2S and a molecular weight of 331.65 g/mol. Its IUPAC name is 1-(methylamino)-N-(2,4,6-trichlorophenyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(methylamino)-N-(2,4,6-trichlorophenyl)propane-2-sulfonamide
PubChem CID114136213
Molecular FormulaC10H13Cl3N2O2S
Molecular Weight331.65 g/mol
Exact Mass329.98
IUPAC Name1-(methylamino)-N-(2,4,6-trichlorophenyl)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl3N2O2S/c1-6(5-14-2)18(16,17)15-10-8(12)3-7(11)4-9(10)13/h3-4,6,14-15H,5H2,1-2H3
InChIKeyPAUWAOXSXGUJHP-UHFFFAOYSA-N
XLogP3.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.65
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106087915
1-(methylamino)-N-(2,3,5,6-tetrafluorophenyl)propane-2-sulfonamide
CID 106087564
1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide
CID 106074521
N-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106030674
N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106060646
N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 107447139
1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide
CID 106070014
3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79202526
5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide
CID 106002671
N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 114141749
1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide
CID 106031789
N-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 106018428

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-N-(2,4,6-trichlorophenyl)propane-2-sulfonamide?
The IUPAC name of 1-(methylamino)-N-(2,4,6-trichlorophenyl)propane-2-sulfonamide (CID 114136213) is 1-(methylamino)-N-(2,4,6-trichlorophenyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(methylamino)-N-(2,4,6-trichlorophenyl)propane-2-sulfonamide?
The canonical SMILES for 1-(methylamino)-N-(2,4,6-trichlorophenyl)propane-2-sulfonamide is CNCC(C)S(=O)(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1-(methylamino)-N-(2,4,6-trichlorophenyl)propane-2-sulfonamide?
The InChIKey is PAUWAOXSXGUJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl3N2O2S/c1-6(5-14-2)18(16,17)15-10-8(12)3-7(11)4-9(10)13/h3-4,6,14-15H,5H2,1-2H3.
What are the key properties of 1-(methylamino)-N-(2,4,6-trichlorophenyl)propane-2-sulfonamide?
1-(methylamino)-N-(2,4,6-trichlorophenyl)propane-2-sulfonamide has a molecular weight of 331.65 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-N-(2,4,6-trichlorophenyl)propane-2-sulfonamide is sourced from PubChem (CID 114136213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).