2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide

C11H17Cl2N3O2S — CID 61126235

IUPAC2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1c(N)cc(Cl)cc1Cl)N(C)C
InChIInChI=1S/C11H17Cl2N3O2S/c1-7(16(2)3)6-15-19(17,18)11-9(13)4-8(12)5-10(11)14/h4-5,7,15H,6,14H2,1-3H3
InChIKeyLORGKAJIMRVTHH-UHFFFAOYSA-N
MW326.25 g/mol
LogP1.80
Rot. Bonds5

About 2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide

2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide (PubChem CID 61126235) has the molecular formula C11H17Cl2N3O2S and a molecular weight of 326.25 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
PubChem CID61126235
Molecular FormulaC11H17Cl2N3O2S
Molecular Weight326.25 g/mol
Exact Mass325.04
IUPAC Name2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1c(N)cc(Cl)cc1Cl)N(C)C
InChIInChI=1S/C11H17Cl2N3O2S/c1-7(16(2)3)6-15-19(17,18)11-9(13)4-8(12)5-10(11)14/h4-5,7,15H,6,14H2,1-3H3
InChIKeyLORGKAJIMRVTHH-UHFFFAOYSA-N
XLogP1.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
CID 55871539
2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61127626
2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 43255854
2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide
CID 61111383
5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 61127828
2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide
CID 43272464
2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413574
2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 43255658
2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide
CID 34132352
2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271650
2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327833
2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248033

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide (CID 61126235) is 2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide is CC(CNS(=O)(=O)c1c(N)cc(Cl)cc1Cl)N(C)C.
What is the InChIKey of 2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide?
The InChIKey is LORGKAJIMRVTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N3O2S/c1-7(16(2)3)6-15-19(17,18)11-9(13)4-8(12)5-10(11)14/h4-5,7,15H,6,14H2,1-3H3.
What are the key properties of 2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide?
2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide has a molecular weight of 326.25 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 61126235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).