4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide

C14H18FN3O3S — CID 99830947

IUPAC4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC[C@@H](C)Cn2cccn2)ccc1F
InChIInChI=1S/C14H18FN3O3S/c1-11(10-18-7-3-6-16-18)9-17-22(19,20)12-4-5-13(15)14(8-12)21-2/h3-8,11,17H,9-10H2,1-2H3/t11-/m1/s1
InChIKeyUWQGLDAGGNZBBK-LLVKDONJSA-N
MW327.38 g/mol
LogP1.65
Rot. Bonds7

About 4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide

4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide (PubChem CID 99830947) has the molecular formula C14H18FN3O3S and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide
PubChem CID99830947
Molecular FormulaC14H18FN3O3S
Molecular Weight327.38 g/mol
Exact Mass327.11
IUPAC Name4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC[C@@H](C)Cn2cccn2)ccc1F
InChIInChI=1S/C14H18FN3O3S/c1-11(10-18-7-3-6-16-18)9-17-22(19,20)12-4-5-13(15)14(8-12)21-2/h3-8,11,17H,9-10H2,1-2H3/t11-/m1/s1
InChIKeyUWQGLDAGGNZBBK-LLVKDONJSA-N
XLogP1.65
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 55735133
4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 55735011
4-fluoro-N-(2-imidazol-1-ylethyl)-3-methoxybenzenesulfonamide
CID 86818502
2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 60539912
3-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-methoxybenzenesulfonamide
CID 55913499
1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide
CID 86870409
5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
CID 55735458
4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 55735040
2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 94181205
N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120706784
3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302868
N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120713011

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide (CID 99830947) is 4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide is COc1cc(S(=O)(=O)NC[C@@H](C)Cn2cccn2)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide?
The InChIKey is UWQGLDAGGNZBBK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18FN3O3S/c1-11(10-18-7-3-6-16-18)9-17-22(19,20)12-4-5-13(15)14(8-12)21-2/h3-8,11,17H,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide?
4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide has a molecular weight of 327.38 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide is sourced from PubChem (CID 99830947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).