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

C12H16Cl2N2O2S — CID 106030688

IUPAC3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCNC1CC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c13-10-3-1-4-11(12(10)14)16-19(17,18)8-2-7-15-9-5-6-9/h1,3-4,9,15-16H,2,5-8H2
InChIKeyDNIIPHRJGADYQC-UHFFFAOYSA-N
MW323.25 g/mol
LogP2.88
Rot. Bonds7

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

3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide (PubChem CID 106030688) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide
PubChem CID106030688
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC Name3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCNC1CC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c13-10-3-1-4-11(12(10)14)16-19(17,18)8-2-7-15-9-5-6-9/h1,3-4,9,15-16H,2,5-8H2
InChIKeyDNIIPHRJGADYQC-UHFFFAOYSA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.88
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

3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide
CID 107591687
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106029188
N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 106030648
N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106031181
2-chloro-N-(2,3-dichlorophenyl)ethanesulfonamide
CID 103609336
N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
CID 106061301
N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106073353
1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide
CID 106030643
4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
CID 106005891
N'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine
CID 113410401
N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106061607
4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide
CID 106003237

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide?
The IUPAC name of 3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide (CID 106030688) is 3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide is O=S(=O)(CCCNC1CC1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide?
The InChIKey is DNIIPHRJGADYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c13-10-3-1-4-11(12(10)14)16-19(17,18)8-2-7-15-9-5-6-9/h1,3-4,9,15-16H,2,5-8H2.
What are the key properties of 3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide?
3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide has a molecular weight of 323.25 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide is sourced from PubChem (CID 106030688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).