N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide

C19H20FN3O3S2 — CID 72718645

IUPACN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCn1nc(-c2cccs2)cc1C1CC1
InChIInChI=1S/C19H20FN3O3S2/c1-26-17-7-6-14(20)11-19(17)28(24,25)21-8-9-23-16(13-4-5-13)12-15(22-23)18-3-2-10-27-18/h2-3,6-7,10-13,21H,4-5,8-9H2,1H3
InChIKeyVUVOMKIESCSICA-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.62
Rot. Bonds8

About N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide

N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide (PubChem CID 72718645) has the molecular formula C19H20FN3O3S2 and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
PubChem CID72718645
Molecular FormulaC19H20FN3O3S2
Molecular Weight421.52 g/mol
Exact Mass421.09
IUPAC NameN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCn1nc(-c2cccs2)cc1C1CC1
InChIInChI=1S/C19H20FN3O3S2/c1-26-17-7-6-14(20)11-19(17)28(24,25)21-8-9-23-16(13-4-5-13)12-15(22-23)18-3-2-10-27-18/h2-3,6-7,10-13,21H,4-5,8-9H2,1H3
InChIKeyVUVOMKIESCSICA-UHFFFAOYSA-N
XLogP3.62
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 72718644
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide
CID 72718654
N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 71793760
5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 7693532
5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41246978
2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905802
5-chloro-N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxybenzenesulfonamide
CID 121019977
N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 72718696
5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169942
5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166393
2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169927
5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 71787116

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide (CID 72718645) is N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCCn1nc(-c2cccs2)cc1C1CC1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide?
The InChIKey is VUVOMKIESCSICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S2/c1-26-17-7-6-14(20)11-19(17)28(24,25)21-8-9-23-16(13-4-5-13)12-15(22-23)18-3-2-10-27-18/h2-3,6-7,10-13,21H,4-5,8-9H2,1H3.
What are the key properties of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide?
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide has a molecular weight of 421.52 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 72718645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).