N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-sulfonamide

C23H22FN3O3S — CID 167843378

IUPACN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)oc2ccc(F)cc12
InChIInChI=1S/C23H22FN3O3S/c1-15-19-13-17(24)11-12-21(19)30-23(15)31(28,29)26-22-14-20(16-7-5-6-8-16)25-27(22)18-9-3-2-4-10-18/h2-4,9-14,16,26H,5-8H2,1H3
InChIKeyISDIGRZUQKDIJP-UHFFFAOYSA-N
MW439.51 g/mol
LogP5.52
Rot. Bonds5

About N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-sulfonamide

N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-sulfonamide (PubChem CID 167843378) has the molecular formula C23H22FN3O3S and a molecular weight of 439.51 g/mol. Its IUPAC name is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-sulfonamide
PubChem CID167843378
Molecular FormulaC23H22FN3O3S
Molecular Weight439.51 g/mol
Exact Mass439.14
IUPAC NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)oc2ccc(F)cc12
InChIInChI=1S/C23H22FN3O3S/c1-15-19-13-17(24)11-12-21(19)30-23(15)31(28,29)26-22-14-20(16-7-5-6-8-16)25-27(22)18-9-3-2-4-10-18/h2-4,9-14,16,26H,5-8H2,1H3
InChIKeyISDIGRZUQKDIJP-UHFFFAOYSA-N
XLogP5.52
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-Methyl-1-benzofuran-2-yl)-1-phenylpyrazol-5-amine
CID 44224986
N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide
CID 2742798
N-(2,5-dimethyl-4H-pyrazolo[1,5-a]azepin-8-yl)-4-(5-ethyl-2,4-dimethylfuran-3-yl)-3-fluorobenzenesulfonamide
CID 123352817
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-(difluoromethyl)furan-2-sulfonamide
CID 167827040
4-[5-[2-(5-Amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide
CID 3444456
4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide
CID 5828198
3-(1-Benzofuran-3-yl)-1-phenylpyrazol-5-amine
CID 64131586
N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-1-benzofuran-3-sulfonamide
CID 138052553
N-(1,5-dimethylpyrazol-3-yl)dibenzofuran-2-sulfonamide
CID 167910219

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-sulfonamide?
The IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-sulfonamide (CID 167843378) is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-sulfonamide is Cc1c(S(=O)(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)oc2ccc(F)cc12.
What is the InChIKey of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-sulfonamide?
The InChIKey is ISDIGRZUQKDIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3S/c1-15-19-13-17(24)11-12-21(19)30-23(15)31(28,29)26-22-14-20(16-7-5-6-8-16)25-27(22)18-9-3-2-4-10-18/h2-4,9-14,16,26H,5-8H2,1H3.
What are the key properties of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-sulfonamide?
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-sulfonamide has a molecular weight of 439.51 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 167843378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).