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

C9H7Cl2N3O4S2 — CID 102691039

IUPAC2-chloro-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(NS(=O)(=O)c2ccn[nH]2)cc1Cl
InChIInChI=1S/C9H7Cl2N3O4S2/c10-7-5-6(1-2-8(7)19(11,15)16)14-20(17,18)9-3-4-12-13-9/h1-5,14H,(H,12,13)
InChIKeyWKCXENIXCLJPNY-UHFFFAOYSA-N
MW356.21 g/mol
LogP1.79
Rot. Bonds4

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

2-chloro-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride (PubChem CID 102691039) has the molecular formula C9H7Cl2N3O4S2 and a molecular weight of 356.21 g/mol. Its IUPAC name is 2-chloro-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride
PubChem CID102691039
Molecular FormulaC9H7Cl2N3O4S2
Molecular Weight356.21 g/mol
Exact Mass354.93
IUPAC Name2-chloro-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(NS(=O)(=O)c2ccn[nH]2)cc1Cl
InChIInChI=1S/C9H7Cl2N3O4S2/c10-7-5-6(1-2-8(7)19(11,15)16)14-20(17,18)9-3-4-12-13-9/h1-5,14H,(H,12,13)
InChIKeyWKCXENIXCLJPNY-UHFFFAOYSA-N
XLogP1.79
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride
CID 102691035
N-(3-chlorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691568
N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692751
N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691460
N-[4-(methylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102693540
N-(3,5-difluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691589
N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691623
2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride
CID 60858307
N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692588
2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692467
N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide
CID 102693598
N-(3-chloropyrazin-2-yl)-1H-pyrazole-5-sulfonamide
CID 102990020

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride?
The IUPAC name of 2-chloro-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride (CID 102691039) is 2-chloro-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(NS(=O)(=O)c2ccn[nH]2)cc1Cl.
What is the InChIKey of 2-chloro-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride?
The InChIKey is WKCXENIXCLJPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O4S2/c10-7-5-6(1-2-8(7)19(11,15)16)14-20(17,18)9-3-4-12-13-9/h1-5,14H,(H,12,13).
What are the key properties of 2-chloro-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride?
2-chloro-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride has a molecular weight of 356.21 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 102691039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).