4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide

C11H9Cl2N3O3S2 — CID 77050384

IUPAC4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H9Cl2N3O3S2/c12-6-1-2-7(11(14)15-17)8(5-6)16-21(18,19)10-4-3-9(13)20-10/h1-5,16-17H,(H2,14,15)
InChIKeyROYXKBLIJODSBU-UHFFFAOYSA-N
MW366.25 g/mol
LogP2.95
Rot. Bonds4

About 4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide

4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide (PubChem CID 77050384) has the molecular formula C11H9Cl2N3O3S2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
PubChem CID77050384
Molecular FormulaC11H9Cl2N3O3S2
Molecular Weight366.25 g/mol
Exact Mass364.95
IUPAC Name4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H9Cl2N3O3S2/c12-6-1-2-7(11(14)15-17)8(5-6)16-21(18,19)10-4-3-9(13)20-10/h1-5,16-17H,(H2,14,15)
InChIKeyROYXKBLIJODSBU-UHFFFAOYSA-N
XLogP2.95
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 52.95
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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Related Compounds

4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide
CID 114959569
5-chloro-N-(4-chloro-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81434366
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-6-methylbenzenecarboximidamide
CID 107801051
4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 77050392
2-[(5-bromothiophen-2-yl)sulfonylamino]-4-chlorobenzenecarbothioamide
CID 64918102
4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 105361632
4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 114812354
4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
CID 60916262
4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide
CID 114812357
4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
CID 114816595
5-chloro-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 4845679
5-chloro-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 64786901

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide (CID 77050384) is 4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is ROYXKBLIJODSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O3S2/c12-6-1-2-7(11(14)15-17)8(5-6)16-21(18,19)10-4-3-9(13)20-10/h1-5,16-17H,(H2,14,15).
What are the key properties of 4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide?
4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 366.25 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77050384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).