4-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-sulfonamide

C9H10ClN5O3S2 — CID 106314716

IUPAC4-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-sulfonamide
SMILESCC(=NO)c1csc(NS(=O)(=O)c2c(Cl)cnn2C)n1
InChIInChI=1S/C9H10ClN5O3S2/c1-5(13-16)7-4-19-9(12-7)14-20(17,18)8-6(10)3-11-15(8)2/h3-4,16H,1-2H3,(H,12,14)
InChIKeyFWADPYKCIQNRGM-UHFFFAOYSA-N
MW335.80 g/mol
LogP1.53
Rot. Bonds4

About 4-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-sulfonamide

4-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-sulfonamide (PubChem CID 106314716) has the molecular formula C9H10ClN5O3S2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 4-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-sulfonamide
PubChem CID106314716
Molecular FormulaC9H10ClN5O3S2
Molecular Weight335.80 g/mol
Exact Mass334.99
IUPAC Name4-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-sulfonamide
SMILESCC(=NO)c1csc(NS(=O)(=O)c2c(Cl)cnn2C)n1
InChIInChI=1S/C9H10ClN5O3S2/c1-5(13-16)7-4-19-9(12-7)14-20(17,18)8-6(10)3-11-15(8)2/h3-4,16H,1-2H3,(H,12,14)
InChIKeyFWADPYKCIQNRGM-UHFFFAOYSA-N
XLogP1.53
TPSA109.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 77046639
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzenesulfonamide
CID 77046980
5-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 77047038
N-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine
CID 104978674
4-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 106315690
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazol-2-yl]-2-methoxyethanesulfonamide
CID 64555946
1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 77046918
5-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 106313993
3,5-dichloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]benzamide
CID 77047033
4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
CID 106139079
3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 106314240
4-chloro-N-(4-hydroxy-2-methylphenyl)-1-methylpyrazole-5-sulfonamide
CID 106147360

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-sulfonamide (CID 106314716) is 4-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-sulfonamide is CC(=NO)c1csc(NS(=O)(=O)c2c(Cl)cnn2C)n1.
What is the InChIKey of 4-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-sulfonamide?
The InChIKey is FWADPYKCIQNRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O3S2/c1-5(13-16)7-4-19-9(12-7)14-20(17,18)8-6(10)3-11-15(8)2/h3-4,16H,1-2H3,(H,12,14).
What are the key properties of 4-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-sulfonamide?
4-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-sulfonamide has a molecular weight of 335.80 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106314716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).