1-(4-chloro-3-fluorophenyl)-N-(2,4,5-trimethylpyrazol-3-yl)methanesulfonamide

C13H15ClFN3O2S — CID 154739287

IUPAC1-(4-chloro-3-fluorophenyl)-N-(2,4,5-trimethylpyrazol-3-yl)methanesulfonamide
SMILESCc1nn(C)c(NS(=O)(=O)Cc2ccc(Cl)c(F)c2)c1C
InChIInChI=1S/C13H15ClFN3O2S/c1-8-9(2)16-18(3)13(8)17-21(19,20)7-10-4-5-11(14)12(15)6-10/h4-6,17H,7H2,1-3H3
InChIKeyOXFPZNDFPRIGET-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.77
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-N-(2,4,5-trimethylpyrazol-3-yl)methanesulfonamide

1-(4-chloro-3-fluorophenyl)-N-(2,4,5-trimethylpyrazol-3-yl)methanesulfonamide (PubChem CID 154739287) has the molecular formula C13H15ClFN3O2S and a molecular weight of 331.80 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-(2,4,5-trimethylpyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-(2,4,5-trimethylpyrazol-3-yl)methanesulfonamide
PubChem CID154739287
Molecular FormulaC13H15ClFN3O2S
Molecular Weight331.80 g/mol
Exact Mass331.06
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-(2,4,5-trimethylpyrazol-3-yl)methanesulfonamide
SMILESCc1nn(C)c(NS(=O)(=O)Cc2ccc(Cl)c(F)c2)c1C
InChIInChI=1S/C13H15ClFN3O2S/c1-8-9(2)16-18(3)13(8)17-21(19,20)7-10-4-5-11(14)12(15)6-10/h4-6,17H,7H2,1-3H3
InChIKeyOXFPZNDFPRIGET-UHFFFAOYSA-N
XLogP2.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide
CID 99794707
1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide
CID 134052267
2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107891786
2-(4-chloro-3-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 107894529
1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 107889706
5-chloro-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3689918
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997
4-[(4-chloro-3-fluorophenyl)methylsulfonyl]-3,5-difluoroaniline
CID 107885871
N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-6-ethoxypyridine-3-carboxamide
CID 119044636
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
1-(4-chlorophenyl)-N-(2,5-dichlorophenyl)methanesulfonamide
CID 18891286
4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine
CID 55063393

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-(2,4,5-trimethylpyrazol-3-yl)methanesulfonamide?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-(2,4,5-trimethylpyrazol-3-yl)methanesulfonamide (CID 154739287) is 1-(4-chloro-3-fluorophenyl)-N-(2,4,5-trimethylpyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-(2,4,5-trimethylpyrazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-(2,4,5-trimethylpyrazol-3-yl)methanesulfonamide is Cc1nn(C)c(NS(=O)(=O)Cc2ccc(Cl)c(F)c2)c1C.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-(2,4,5-trimethylpyrazol-3-yl)methanesulfonamide?
The InChIKey is OXFPZNDFPRIGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O2S/c1-8-9(2)16-18(3)13(8)17-21(19,20)7-10-4-5-11(14)12(15)6-10/h4-6,17H,7H2,1-3H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-(2,4,5-trimethylpyrazol-3-yl)methanesulfonamide?
1-(4-chloro-3-fluorophenyl)-N-(2,4,5-trimethylpyrazol-3-yl)methanesulfonamide has a molecular weight of 331.80 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-(2,4,5-trimethylpyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 154739287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).