3-fluoro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide

C15H20FN3O2S — CID 71982214

IUPAC3-fluoro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide
SMILESCCCN(Cc1cnn(C)c1)S(=O)(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C15H20FN3O2S/c1-4-5-19(11-13-9-17-18(3)10-13)22(20,21)15-7-12(2)6-14(16)8-15/h6-10H,4-5,11H2,1-3H3
InChIKeyBTQQTSUVSGLPCD-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.47
Rot. Bonds6

About 3-fluoro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide

3-fluoro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide (PubChem CID 71982214) has the molecular formula C15H20FN3O2S and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide
PubChem CID71982214
Molecular FormulaC15H20FN3O2S
Molecular Weight325.41 g/mol
Exact Mass325.13
IUPAC Name3-fluoro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide
SMILESCCCN(Cc1cnn(C)c1)S(=O)(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C15H20FN3O2S/c1-4-5-19(11-13-9-17-18(3)10-13)22(20,21)15-7-12(2)6-14(16)8-15/h6-10H,4-5,11H2,1-3H3
InChIKeyBTQQTSUVSGLPCD-UHFFFAOYSA-N
XLogP2.47
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,4,6-tetramethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 896677
N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6874488
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
1-(1-Ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 6467767
[(1E)-2-(1,3-dimethylpyrazol-4-yl)-1-azavinyl][(4-methylphenyl)sulfonyl]amine
CID 6873384
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide
CID 3277554
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-(propan-2-yl)benzenesulfonamide
CID 22204129
1-benzyl-1H-pyrazole-4-sulfonyl chloride
CID 43531756
1-ethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6470517
2,5-difluoro-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 17376057
N-(4-fluorobenzyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 19582066
N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204121

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide?
The IUPAC name of 3-fluoro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide (CID 71982214) is 3-fluoro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide is CCCN(Cc1cnn(C)c1)S(=O)(=O)c1cc(C)cc(F)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide?
The InChIKey is BTQQTSUVSGLPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2S/c1-4-5-19(11-13-9-17-18(3)10-13)22(20,21)15-7-12(2)6-14(16)8-15/h6-10H,4-5,11H2,1-3H3.
What are the key properties of 3-fluoro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide?
3-fluoro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide has a molecular weight of 325.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide is sourced from PubChem (CID 71982214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).