2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-6-methylbenzenecarboximidamide

C12H12ClN3O3S2 — CID 107801051

IUPAC2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-6-methylbenzenecarboximidamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1/C(N)=N/O
InChIInChI=1S/C12H12ClN3O3S2/c1-7-3-2-4-8(11(7)12(14)15-17)16-21(18,19)10-6-5-9(13)20-10/h2-6,16-17H,1H3,(H2,14,15)
InChIKeyQHOAPINJZSPTRC-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.61
Rot. Bonds4

About 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-6-methylbenzenecarboximidamide

2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-6-methylbenzenecarboximidamide (PubChem CID 107801051) has the molecular formula C12H12ClN3O3S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-6-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-6-methylbenzenecarboximidamide
PubChem CID107801051
Molecular FormulaC12H12ClN3O3S2
Molecular Weight345.83 g/mol
Exact Mass345.00
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-6-methylbenzenecarboximidamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1/C(N)=N/O
InChIInChI=1S/C12H12ClN3O3S2/c1-7-3-2-4-8(11(7)12(14)15-17)16-21(18,19)10-6-5-9(13)20-10/h2-6,16-17H,1H3,(H2,14,15)
InChIKeyQHOAPINJZSPTRC-UHFFFAOYSA-N
XLogP2.61
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.61
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-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 77050384
2-(cyclopropylmethylsulfonylamino)-N'-hydroxy-6-methylbenzenecarboximidamide
CID 107801066
N'-hydroxy-2-methyl-6-(pyrrolidin-1-ylsulfonylamino)benzenecarboximidamide
CID 107801069
5-chloro-N-(5,8-dimethyl-9H-carbazol-1-yl)thiophene-2-sulfonamide
CID 58444147
N'-hydroxy-2,6-dimethylbenzenecarboximidamide
CID 6299742
5-chloro-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 4845679
N-(2-amino-4-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 43259125
3-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 113341680
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]propanamide
CID 107800793
5-chloro-N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 4729238
5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide
CID 43606054
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide
CID 77038493

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-6-methylbenzenecarboximidamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-6-methylbenzenecarboximidamide (CID 107801051) is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-6-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-6-methylbenzenecarboximidamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-6-methylbenzenecarboximidamide is Cc1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1/C(N)=N/O.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-6-methylbenzenecarboximidamide?
The InChIKey is QHOAPINJZSPTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S2/c1-7-3-2-4-8(11(7)12(14)15-17)16-21(18,19)10-6-5-9(13)20-10/h2-6,16-17H,1H3,(H2,14,15).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-6-methylbenzenecarboximidamide?
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-6-methylbenzenecarboximidamide has a molecular weight of 345.83 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-6-methylbenzenecarboximidamide is sourced from PubChem (CID 107801051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).