4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide

C11H10BrN3O3S2 — CID 76904502

IUPAC4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(NS(=O)(=O)c2sccc2Br)cc1
InChIInChI=1S/C11H10BrN3O3S2/c12-9-5-6-19-11(9)20(17,18)15-8-3-1-7(2-4-8)10(13)14-16/h1-6,15-16H,(H2,13,14)
InChIKeyRGQKEMWDOIJSQN-UHFFFAOYSA-N
MW376.26 g/mol
LogP2.41
Rot. Bonds4

About 4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide

4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide (PubChem CID 76904502) has the molecular formula C11H10BrN3O3S2 and a molecular weight of 376.26 g/mol. Its IUPAC name is 4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
PubChem CID76904502
Molecular FormulaC11H10BrN3O3S2
Molecular Weight376.26 g/mol
Exact Mass374.93
IUPAC Name4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(NS(=O)(=O)c2sccc2Br)cc1
InChIInChI=1S/C11H10BrN3O3S2/c12-9-5-6-19-11(9)20(17,18)15-8-3-1-7(2-4-8)10(13)14-16/h1-6,15-16H,(H2,13,14)
InChIKeyRGQKEMWDOIJSQN-UHFFFAOYSA-N
XLogP2.41
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide (CID 76904502) is 4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(NS(=O)(=O)c2sccc2Br)cc1.
What is the InChIKey of 4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is RGQKEMWDOIJSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O3S2/c12-9-5-6-19-11(9)20(17,18)15-8-3-1-7(2-4-8)10(13)14-16/h1-6,15-16H,(H2,13,14).
What are the key properties of 4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide?
4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 376.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76904502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).