3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride

C10H7ClFN3O3S — CID 63086288

IUPAC3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1F)c1ccn[nH]1
InChIInChI=1S/C10H7ClFN3O3S/c11-19(17,18)6-1-2-8(7(12)5-6)14-10(16)9-3-4-13-15-9/h1-5H,(H,13,15)(H,14,16)
InChIKeyPMYNTJMDPNBIHH-UHFFFAOYSA-N
MW303.70 g/mol
LogP1.73
Rot. Bonds3

About 3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride

3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride (PubChem CID 63086288) has the molecular formula C10H7ClFN3O3S and a molecular weight of 303.70 g/mol. Its IUPAC name is 3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
PubChem CID63086288
Molecular FormulaC10H7ClFN3O3S
Molecular Weight303.70 g/mol
Exact Mass302.99
IUPAC Name3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1F)c1ccn[nH]1
InChIInChI=1S/C10H7ClFN3O3S/c11-19(17,18)6-1-2-8(7(12)5-6)14-10(16)9-3-4-13-15-9/h1-5H,(H,13,15)(H,14,16)
InChIKeyPMYNTJMDPNBIHH-UHFFFAOYSA-N
XLogP1.73
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
CID 63086291
N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 68952080
N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 63080492
3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 66156540
N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 47177432
3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 43101403
N-(2-amino-5-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 63257543
N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 16678665
4-[2-(1H-pyrazole-5-carbonylamino)ethyl]benzenesulfonyl chloride
CID 63084257
N-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 55208813
N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 56790133
5-iodo-2-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 63111258

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride (CID 63086288) is 3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride is O=C(Nc1ccc(S(=O)(=O)Cl)cc1F)c1ccn[nH]1.
What is the InChIKey of 3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride?
The InChIKey is PMYNTJMDPNBIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O3S/c11-19(17,18)6-1-2-8(7(12)5-6)14-10(16)9-3-4-13-15-9/h1-5H,(H,13,15)(H,14,16).
What are the key properties of 3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride?
3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride has a molecular weight of 303.70 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 63086288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).