2,3-difluoro-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]benzenesulfonamide

C16H14F2N4O2S — CID 71852241

IUPAC2,3-difluoro-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]benzenesulfonamide
SMILESCn1cc(Nc2cccc(NS(=O)(=O)c3cccc(F)c3F)c2)cn1
InChIInChI=1S/C16H14F2N4O2S/c1-22-10-13(9-19-22)20-11-4-2-5-12(8-11)21-25(23,24)15-7-3-6-14(17)16(15)18/h2-10,20-21H,1H3
InChIKeyPDDDVFUPXRKNQR-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.24
Rot. Bonds5

About 2,3-difluoro-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]benzenesulfonamide

2,3-difluoro-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]benzenesulfonamide (PubChem CID 71852241) has the molecular formula C16H14F2N4O2S and a molecular weight of 364.38 g/mol. Its IUPAC name is 2,3-difluoro-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-difluoro-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]benzenesulfonamide
PubChem CID71852241
Molecular FormulaC16H14F2N4O2S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC Name2,3-difluoro-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]benzenesulfonamide
SMILESCn1cc(Nc2cccc(NS(=O)(=O)c3cccc(F)c3F)c2)cn1
InChIInChI=1S/C16H14F2N4O2S/c1-22-10-13(9-19-22)20-11-4-2-5-12(8-11)21-25(23,24)15-7-3-6-14(17)16(15)18/h2-10,20-21H,1H3
InChIKeyPDDDVFUPXRKNQR-UHFFFAOYSA-N
XLogP3.24
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 47345276
N-(2,6-difluorophenyl)-1-methylpyrazol-4-amine
CID 82536854
4-amino-3-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 82843709
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 159276710
1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone
CID 82536724
2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 62146252
N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide
CID 106912960
2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 79770383
3-fluoro-4-methyl-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 43535060
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445
2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide
CID 62057135
N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopent-3-ene-1-carboxamide
CID 71979985

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 2,3-difluoro-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]benzenesulfonamide (CID 71852241) is 2,3-difluoro-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3-difluoro-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 2,3-difluoro-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]benzenesulfonamide is Cn1cc(Nc2cccc(NS(=O)(=O)c3cccc(F)c3F)c2)cn1.
What is the InChIKey of 2,3-difluoro-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is PDDDVFUPXRKNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2S/c1-22-10-13(9-19-22)20-11-4-2-5-12(8-11)21-25(23,24)15-7-3-6-14(17)16(15)18/h2-10,20-21H,1H3.
What are the key properties of 2,3-difluoro-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]benzenesulfonamide?
2,3-difluoro-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 364.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 71852241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).