4-chloro-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide

C14H17ClFN3O2S — CID 47062352

IUPAC4-chloro-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1cnn(C)c1)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C14H17ClFN3O2S/c1-10(2)19(9-11-7-17-18(3)8-11)22(20,21)14-5-4-12(15)6-13(14)16/h4-8,10H,9H2,1-3H3
InChIKeyZNZLMLSVKJGBQK-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.81
Rot. Bonds5

About 4-chloro-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide

4-chloro-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 47062352) has the molecular formula C14H17ClFN3O2S and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID47062352
Molecular FormulaC14H17ClFN3O2S
Molecular Weight345.83 g/mol
Exact Mass345.07
IUPAC Name4-chloro-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1cnn(C)c1)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C14H17ClFN3O2S/c1-10(2)19(9-11-7-17-18(3)8-11)22(20,21)14-5-4-12(15)6-13(14)16/h4-8,10H,9H2,1-3H3
InChIKeyZNZLMLSVKJGBQK-UHFFFAOYSA-N
XLogP2.81
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N'-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]benzenesulfonohydrazide
CID 6873665
[(2,5-Difluorophenyl)sulfonyl][(1-methylpyrazol-4-yl)methyl]amine
CID 17376057
4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 19577768
N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204121
2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204139
2-chloro-4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 45811498
3-Fluoro-5-methyl-N-[(1-methylpyrazol-4-YL)methyl]-N-propylbenzenesulfonamide
CID 71982214
4-fluoro-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 47062350
3,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 47062356
N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 47062357
1-(3-Chloro-4-fluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)-1,4-diazepane
CID 71790558
1-(2-Chloro-6-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine
CID 86794789

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide (CID 47062352) is 4-chloro-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide is CC(C)N(Cc1cnn(C)c1)S(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is ZNZLMLSVKJGBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3O2S/c1-10(2)19(9-11-7-17-18(3)8-11)22(20,21)14-5-4-12(15)6-13(14)16/h4-8,10H,9H2,1-3H3.
What are the key properties of 4-chloro-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
4-chloro-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 345.83 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 47062352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).