2-[(2,5-dibromo-4-methylphenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide

C10H13Br2N3O3S — CID 81327073

IUPAC2-[(2,5-dibromo-4-methylphenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide
SMILESCc1cc(Br)c(S(=O)(=O)N(C)C/C(N)=N/O)cc1Br
InChIInChI=1S/C10H13Br2N3O3S/c1-6-3-8(12)9(4-7(6)11)19(17,18)15(2)5-10(13)14-16/h3-4,16H,5H2,1-2H3,(H2,13,14)
InChIKeyQDNGABDOSBXYPY-UHFFFAOYSA-N
MW415.11 g/mol
LogP1.89
Rot. Bonds4

About 2-[(2,5-dibromo-4-methylphenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide

2-[(2,5-dibromo-4-methylphenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide (PubChem CID 81327073) has the molecular formula C10H13Br2N3O3S and a molecular weight of 415.11 g/mol. Its IUPAC name is 2-[(2,5-dibromo-4-methylphenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(2,5-dibromo-4-methylphenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide
PubChem CID81327073
Molecular FormulaC10H13Br2N3O3S
Molecular Weight415.11 g/mol
Exact Mass412.90
IUPAC Name2-[(2,5-dibromo-4-methylphenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide
SMILESCc1cc(Br)c(S(=O)(=O)N(C)C/C(N)=N/O)cc1Br
InChIInChI=1S/C10H13Br2N3O3S/c1-6-3-8(12)9(4-7(6)11)19(17,18)15(2)5-10(13)14-16/h3-4,16H,5H2,1-2H3,(H2,13,14)
InChIKeyQDNGABDOSBXYPY-UHFFFAOYSA-N
XLogP1.89
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.11
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide
CID 80711575
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide
CID 76929365
N'-hydroxy-2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethanimidamide
CID 58392990
2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide
CID 76929267
2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 81435953
2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
CID 81326906
2-[(5-amino-4-bromo-2-methylphenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 114625351
2-[butan-2-yl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetic acid
CID 81319438
2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927504
2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374780
2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide
CID 81435152
2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide
CID 50876814

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dibromo-4-methylphenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(2,5-dibromo-4-methylphenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide (CID 81327073) is 2-[(2,5-dibromo-4-methylphenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(2,5-dibromo-4-methylphenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(2,5-dibromo-4-methylphenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide is Cc1cc(Br)c(S(=O)(=O)N(C)C/C(N)=N/O)cc1Br.
What is the InChIKey of 2-[(2,5-dibromo-4-methylphenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide?
The InChIKey is QDNGABDOSBXYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N3O3S/c1-6-3-8(12)9(4-7(6)11)19(17,18)15(2)5-10(13)14-16/h3-4,16H,5H2,1-2H3,(H2,13,14).
What are the key properties of 2-[(2,5-dibromo-4-methylphenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide?
2-[(2,5-dibromo-4-methylphenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide has a molecular weight of 415.11 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dibromo-4-methylphenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 81327073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).