methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate

C11H10ClN3O4S — CID 102691733

IUPACmethyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate
SMILESCOC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccn[nH]2)c1
InChIInChI=1S/C11H10ClN3O4S/c1-19-11(16)7-2-3-8(12)9(6-7)15-20(17,18)10-4-5-13-14-10/h2-6,15H,1H3,(H,13,14)
InChIKeyQCZBWVXYROAASF-UHFFFAOYSA-N
MW315.74 g/mol
LogP1.65
Rot. Bonds4

About methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate

methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate (PubChem CID 102691733) has the molecular formula C11H10ClN3O4S and a molecular weight of 315.74 g/mol. Its IUPAC name is methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate
PubChem CID102691733
Molecular FormulaC11H10ClN3O4S
Molecular Weight315.74 g/mol
Exact Mass315.01
IUPAC Namemethyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate
SMILESCOC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccn[nH]2)c1
InChIInChI=1S/C11H10ClN3O4S/c1-19-11(16)7-2-3-8(12)9(6-7)15-20(17,18)10-4-5-13-14-10/h2-6,15H,1H3,(H,13,14)
InChIKeyQCZBWVXYROAASF-UHFFFAOYSA-N
XLogP1.65
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692631
methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate
CID 8500236
N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691623
N-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-sulfonamide
CID 102691501
methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate
CID 95036267
3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692470
methyl 3-[(4-aminothiophen-2-yl)sulfonylamino]-4-chlorobenzoate
CID 61300755
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide
CID 102693806
N-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692709
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-5-sulfonamide
CID 102692511
methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate
CID 102691734
N'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
CID 102693886

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate?
The IUPAC name of methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate (CID 102691733) is methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate.
What is the SMILES notation for methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate?
The canonical SMILES for methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate is COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccn[nH]2)c1.
What is the InChIKey of methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate?
The InChIKey is QCZBWVXYROAASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O4S/c1-19-11(16)7-2-3-8(12)9(6-7)15-20(17,18)10-4-5-13-14-10/h2-6,15H,1H3,(H,13,14).
What are the key properties of methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate?
methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate has a molecular weight of 315.74 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate is sourced from PubChem (CID 102691733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).