N-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide

C10H14Cl2N2O2S — CID 106030674

IUPACN-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C10H14Cl2N2O2S/c1-7(6-13-2)17(15,16)14-9-5-3-4-8(11)10(9)12/h3-5,7,13-14H,6H2,1-2H3
InChIKeyOKVFWRIRJAFKSL-UHFFFAOYSA-N
MW297.21 g/mol
LogP2.34
Rot. Bonds5

About N-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide

N-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide (PubChem CID 106030674) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide
PubChem CID106030674
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC NameN-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C10H14Cl2N2O2S/c1-7(6-13-2)17(15,16)14-9-5-3-4-8(11)10(9)12/h3-5,7,13-14H,6H2,1-2H3
InChIKeyOKVFWRIRJAFKSL-UHFFFAOYSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide
CID 106030643
N-(2-iodophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106030243
N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 106030648
N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106060646
2-chloro-N-(2,3-dichlorophenyl)ethanesulfonamide
CID 103609336
N-(2,3-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507509
N-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106087915
N-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide
CID 106090358
N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106061222
3-(2,3-dichloroanilino)butanamide
CID 82086378
5-chloro-N-(2,3-dichlorophenyl)-1-methylimidazole-4-sulfonamide
CID 43456018
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide (CID 106030674) is N-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide is CNCC(C)S(=O)(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide?
The InChIKey is OKVFWRIRJAFKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S/c1-7(6-13-2)17(15,16)14-9-5-3-4-8(11)10(9)12/h3-5,7,13-14H,6H2,1-2H3.
What are the key properties of N-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide?
N-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide has a molecular weight of 297.21 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 106030674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).