4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide

C9H12Cl2N2O2S2 — CID 63981794

IUPAC4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCNS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H12Cl2N2O2S2/c1-16-3-2-13-17(14,15)9-7(10)4-6(12)5-8(9)11/h4-5,13H,2-3,12H2,1H3
InChIKeyOVUMKOKGIVWRRC-UHFFFAOYSA-N
MW315.25 g/mol
LogP2.22
Rot. Bonds5

About 4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide

4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide (PubChem CID 63981794) has the molecular formula C9H12Cl2N2O2S2 and a molecular weight of 315.25 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide
PubChem CID63981794
Molecular FormulaC9H12Cl2N2O2S2
Molecular Weight315.25 g/mol
Exact Mass313.97
IUPAC Name4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCNS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H12Cl2N2O2S2/c1-16-3-2-13-17(14,15)9-7(10)4-6(12)5-8(9)11/h4-5,13H,2-3,12H2,1H3
InChIKeyOVUMKOKGIVWRRC-UHFFFAOYSA-N
XLogP2.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 43257027
4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63961201
4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 79589376
4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 43590962
3-[(4-amino-2,6-dichlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126649
4-amino-2,6-dichloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115515168
3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63983724
methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate
CID 43257166
2-chloro-5-(2-methylsulfanylethylsulfamoyl)benzoic acid
CID 43396102
4-amino-2,6-dichloro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63820548
5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63982651
4-amino-2,6-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392197

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide (CID 63981794) is 4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide is CSCCNS(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide?
The InChIKey is OVUMKOKGIVWRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2S2/c1-16-3-2-13-17(14,15)9-7(10)4-6(12)5-8(9)11/h4-5,13H,2-3,12H2,1H3.
What are the key properties of 4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide?
4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide has a molecular weight of 315.25 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 63981794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).