2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride

C10H10ClN3O4S2 — CID 102691035

IUPAC2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride
SMILESCc1cc(NS(=O)(=O)c2ccn[nH]2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C10H10ClN3O4S2/c1-7-6-8(2-3-9(7)19(11,15)16)14-20(17,18)10-4-5-12-13-10/h2-6,14H,1H3,(H,12,13)
InChIKeyLQHRHDSVWVHELS-UHFFFAOYSA-N
MW335.79 g/mol
LogP1.45
Rot. Bonds4

About 2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride

2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride (PubChem CID 102691035) has the molecular formula C10H10ClN3O4S2 and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride
PubChem CID102691035
Molecular FormulaC10H10ClN3O4S2
Molecular Weight335.79 g/mol
Exact Mass334.98
IUPAC Name2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride
SMILESCc1cc(NS(=O)(=O)c2ccn[nH]2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C10H10ClN3O4S2/c1-7-6-8(2-3-9(7)19(11,15)16)14-20(17,18)10-4-5-12-13-10/h2-6,14H,1H3,(H,12,13)
InChIKeyLQHRHDSVWVHELS-UHFFFAOYSA-N
XLogP1.45
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride
CID 102691039
N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691460
N-[4-(methylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102693540
N-(3-chlorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691568
N-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691391
N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692751
N-(3,5-difluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691589
N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692588
2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide
CID 102692658
N-(6-methylsulfonyl-3-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 102692515
N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691623
methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate
CID 102691734

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride?
The IUPAC name of 2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride (CID 102691035) is 2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride?
The canonical SMILES for 2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride is Cc1cc(NS(=O)(=O)c2ccn[nH]2)ccc1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride?
The InChIKey is LQHRHDSVWVHELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O4S2/c1-7-6-8(2-3-9(7)19(11,15)16)14-20(17,18)10-4-5-12-13-10/h2-6,14H,1H3,(H,12,13).
What are the key properties of 2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride?
2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride has a molecular weight of 335.79 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 102691035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).