5-bromo-N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarboximidamide

C11H11BrN4O3S2 — CID 103415758

IUPAC5-bromo-N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarboximidamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(Br)cc2/C(N)=N/O)s1
InChIInChI=1S/C11H11BrN4O3S2/c1-6-14-5-10(20-6)21(18,19)16-9-3-2-7(12)4-8(9)11(13)15-17/h2-5,16-17H,1H3,(H2,13,15)
InChIKeyXSKQAMGTPQTPTN-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.11
Rot. Bonds4

About 5-bromo-N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarboximidamide

5-bromo-N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarboximidamide (PubChem CID 103415758) has the molecular formula C11H11BrN4O3S2 and a molecular weight of 391.27 g/mol. Its IUPAC name is 5-bromo-N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarboximidamide
PubChem CID103415758
Molecular FormulaC11H11BrN4O3S2
Molecular Weight391.27 g/mol
Exact Mass389.95
IUPAC Name5-bromo-N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarboximidamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(Br)cc2/C(N)=N/O)s1
InChIInChI=1S/C11H11BrN4O3S2/c1-6-14-5-10(20-6)21(18,19)16-9-3-2-7(12)4-8(9)11(13)15-17/h2-5,16-17H,1H3,(H2,13,15)
InChIKeyXSKQAMGTPQTPTN-UHFFFAOYSA-N
XLogP2.11
TPSA117.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104933209
N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413785
N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413759
5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104589390
N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413875
N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413734
4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarbothioamide
CID 103414697
N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 82703873
ethyl N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]carbamate
CID 82704325
4-bromo-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide
CID 107800975
N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2,2-dimethylpropanamide
CID 82704318
N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboximidamide
CID 103415692

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarboximidamide?
The IUPAC name of 5-bromo-N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarboximidamide (CID 103415758) is 5-bromo-N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarboximidamide.
What is the SMILES notation for 5-bromo-N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarboximidamide?
The canonical SMILES for 5-bromo-N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarboximidamide is Cc1ncc(S(=O)(=O)Nc2ccc(Br)cc2/C(N)=N/O)s1.
What is the InChIKey of 5-bromo-N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarboximidamide?
The InChIKey is XSKQAMGTPQTPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O3S2/c1-6-14-5-10(20-6)21(18,19)16-9-3-2-7(12)4-8(9)11(13)15-17/h2-5,16-17H,1H3,(H2,13,15).
What are the key properties of 5-bromo-N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarboximidamide?
5-bromo-N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarboximidamide has a molecular weight of 391.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarboximidamide is sourced from PubChem (CID 103415758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).