4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide

C24H20N4O3S — CID 100708342

IUPAC4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C24H20N4O3S/c25-32(29,30)21-12-10-19(11-13-21)26-15-18-16-28(20-7-2-1-3-8-20)27-24(18)23-14-17-6-4-5-9-22(17)31-23/h1-14,16,26H,15H2,(H2,25,29,30)
InChIKeyXJMMCDLMDDOEKN-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.55
Rot. Bonds6

About 4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide

4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide (PubChem CID 100708342) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is 4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide
PubChem CID100708342
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC Name4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C24H20N4O3S/c25-32(29,30)21-12-10-19(11-13-21)26-15-18-16-28(20-7-2-1-3-8-20)27-24(18)23-14-17-6-4-5-9-22(17)31-23/h1-14,16,26H,15H2,(H2,25,29,30)
InChIKeyXJMMCDLMDDOEKN-UHFFFAOYSA-N
XLogP4.55
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide with MolForge

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Related Compounds

(2E)-3-(3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl)prop-2-enoic acid
CID 805325
(2S)-3-methyl-2-[[8-[3-(trifluoromethyl)pyrazol-1-yl]dibenzofuran-3-yl]sulfonylamino]butanoic acid
CID 57397577
[3-(1-Benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol
CID 740225
4-(5-Benzofuran-2-yl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide
CID 10835226
(2S)-3-methyl-2-[(8-pyrazol-1-yldibenzofuran-3-yl)sulfonylamino]butanoic acid
CID 57402782
3-(1-benzofuran-2-yl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 976452
3-({[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}amino)benzoic acid
CID 1289171
3-(2-benzofuranyl)-N-(4-nitrophenyl)-1-phenyl-4-pyrazolecarboxamide
CID 3290148
N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 6901353
N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide
CID 6905845
N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-bromobenzamide
CID 6906566
(E)-1-(1-benzofuran-2-yl)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
CID 5984312

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide?
The IUPAC name of 4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide (CID 100708342) is 4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide?
The canonical SMILES for 4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide is NS(=O)(=O)c1ccc(NCc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1.
What is the InChIKey of 4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide?
The InChIKey is XJMMCDLMDDOEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c25-32(29,30)21-12-10-19(11-13-21)26-15-18-16-28(20-7-2-1-3-8-20)27-24(18)23-14-17-6-4-5-9-22(17)31-23/h1-14,16,26H,15H2,(H2,25,29,30).
What are the key properties of 4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide?
4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide has a molecular weight of 444.52 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide is sourced from PubChem (CID 100708342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).