2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide

C10H14Br2N2O2S2 — CID 63983511

IUPAC2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide
SMILESCSCCCNS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C10H14Br2N2O2S2/c1-17-4-2-3-14-18(15,16)10-8(12)5-7(11)6-9(10)13/h5-6,14H,2-4,13H2,1H3
InChIKeyMKDPIORNLNXSJV-UHFFFAOYSA-N
MW418.18 g/mol
LogP2.83
Rot. Bonds6

About 2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide

2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 63983511) has the molecular formula C10H14Br2N2O2S2 and a molecular weight of 418.18 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide
PubChem CID63983511
Molecular FormulaC10H14Br2N2O2S2
Molecular Weight418.18 g/mol
Exact Mass415.89
IUPAC Name2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide
SMILESCSCCCNS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C10H14Br2N2O2S2/c1-17-4-2-3-14-18(15,16)10-8(12)5-7(11)6-9(10)13/h5-6,14H,2-4,13H2,1H3
InChIKeyMKDPIORNLNXSJV-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.18
LogP ≤ 52.83
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

2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61125249
4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63961201
5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide
CID 106233643
2-amino-N-[3-[benzyl(methyl)amino]propyl]-4,6-dibromobenzenesulfonamide
CID 113222919
2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62635948
4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 79589376
2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 93081235
2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide
CID 43310321
2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758514
4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981794
1-(2-amino-4,6-dibromophenyl)sulfonyl-3-butylurea
CID 116645739
3-amino-4-fluoro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63981154

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide (CID 63983511) is 2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide is CSCCCNS(=O)(=O)c1c(N)cc(Br)cc1Br.
What is the InChIKey of 2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is MKDPIORNLNXSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O2S2/c1-17-4-2-3-14-18(15,16)10-8(12)5-7(11)6-9(10)13/h5-6,14H,2-4,13H2,1H3.
What are the key properties of 2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide?
2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide has a molecular weight of 418.18 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 63983511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).