5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide

C16H16FN3O3S2 — CID 122265269

IUPAC5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C16H16FN3O3S2/c1-23-14-6-5-12(17)10-16(14)25(21,22)19-11-13(15-4-2-9-24-15)20-8-3-7-18-20/h2-10,13,19H,11H2,1H3
InChIKeyAFDQCIBKOZIDHW-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.66
Rot. Bonds7

About 5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide

5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 122265269) has the molecular formula C16H16FN3O3S2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID122265269
Molecular FormulaC16H16FN3O3S2
Molecular Weight381.45 g/mol
Exact Mass381.06
IUPAC Name5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C16H16FN3O3S2/c1-23-14-6-5-12(17)10-16(14)25(21,22)19-11-13(15-4-2-9-24-15)20-8-3-7-18-20/h2-10,13,19H,11H2,1H3
InChIKeyAFDQCIBKOZIDHW-UHFFFAOYSA-N
XLogP2.66
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 122265220
5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 122161506
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 122265298
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 122265336
5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166393
methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclopropanesulfonamide
CID 122265214
5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide
CID 40775212
methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate
CID 122266198
3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide
CID 122265333
4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265056
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 30717717

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide (CID 122265269) is 5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCC(c1cccs1)n1cccn1.
What is the InChIKey of 5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is AFDQCIBKOZIDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S2/c1-23-14-6-5-12(17)10-16(14)25(21,22)19-11-13(15-4-2-9-24-15)20-8-3-7-18-20/h2-10,13,19H,11H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 381.45 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 122265269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).