2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride

C11H10ClN3O4S — CID 63084251

IUPAC2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
SMILESCOc1ccc(NC(=O)c2ccn[nH]2)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H10ClN3O4S/c1-19-9-3-2-7(6-10(9)20(12,17)18)14-11(16)8-4-5-13-15-8/h2-6H,1H3,(H,13,15)(H,14,16)
InChIKeyKPBSNWNXNRIUHA-UHFFFAOYSA-N
MW315.74 g/mol
LogP1.60
Rot. Bonds4

About 2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride

2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride (PubChem CID 63084251) has the molecular formula C11H10ClN3O4S and a molecular weight of 315.74 g/mol. Its IUPAC name is 2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
PubChem CID63084251
Molecular FormulaC11H10ClN3O4S
Molecular Weight315.74 g/mol
Exact Mass315.01
IUPAC Name2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
SMILESCOc1ccc(NC(=O)c2ccn[nH]2)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H10ClN3O4S/c1-19-9-3-2-7(6-10(9)20(12,17)18)14-11(16)8-4-5-13-15-8/h2-6H,1H3,(H,13,15)(H,14,16)
InChIKeyKPBSNWNXNRIUHA-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride
CID 43093324
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
CID 47063466
N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 112733236
N-(4-methoxy-3-sulfamoylphenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889356
5-(heptanoylamino)-2-methoxybenzenesulfonyl chloride
CID 114752088
2-methoxy-5-(3-methylpentanoylamino)benzenesulfonyl chloride
CID 114873935
5-acetyl-2-methoxybenzenesulfonyl chloride
CID 4737384
2-methoxy-4-(pyrimidine-5-carbonylamino)benzenesulfonyl chloride
CID 102921722
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide
CID 26850573
2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 54920900

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride?
The IUPAC name of 2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride (CID 63084251) is 2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride?
The canonical SMILES for 2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride is COc1ccc(NC(=O)c2ccn[nH]2)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride?
The InChIKey is KPBSNWNXNRIUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O4S/c1-19-9-3-2-7(6-10(9)20(12,17)18)14-11(16)8-4-5-13-15-8/h2-6H,1H3,(H,13,15)(H,14,16).
What are the key properties of 2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride?
2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride has a molecular weight of 315.74 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 63084251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).