3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide

C11H11ClF2N4O2S — CID 105359202

IUPAC3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2c(F)cc(F)cc2Cl)c(N)nn1C
InChIInChI=1S/C11H11ClF2N4O2S/c1-5-10(11(15)16-18(5)2)21(19,20)17-9-7(12)3-6(13)4-8(9)14/h3-4,17H,1-2H3,(H2,15,16)
InChIKeyZRNMAKQYEWUHCU-UHFFFAOYSA-N
MW336.75 g/mol
LogP2.04
Rot. Bonds3

About 3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105359202) has the molecular formula C11H11ClF2N4O2S and a molecular weight of 336.75 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105359202
Molecular FormulaC11H11ClF2N4O2S
Molecular Weight336.75 g/mol
Exact Mass336.03
IUPAC Name3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2c(F)cc(F)cc2Cl)c(N)nn1C
InChIInChI=1S/C11H11ClF2N4O2S/c1-5-10(11(15)16-18(5)2)21(19,20)17-9-7(12)3-6(13)4-8(9)14/h3-4,17H,1-2H3,(H2,15,16)
InChIKeyZRNMAKQYEWUHCU-UHFFFAOYSA-N
XLogP2.04
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358264
3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359031
3-amino-1,5-dimethyl-N-(3,4,5-trifluorophenyl)pyrazole-4-sulfonamide
CID 105358866
3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358010
3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357989
6-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)pyridine-3-sulfonamide
CID 83074226
3-amino-N-(2-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 103477293
3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359179
2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide
CID 83072869
N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 65499921
N-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 107334292
4-amino-N-(2-chloro-4,6-difluorophenyl)pyridine-3-sulfonamide
CID 83087907

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 105359202) is 3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2c(F)cc(F)cc2Cl)c(N)nn1C.
What is the InChIKey of 3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is ZRNMAKQYEWUHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N4O2S/c1-5-10(11(15)16-18(5)2)21(19,20)17-9-7(12)3-6(13)4-8(9)14/h3-4,17H,1-2H3,(H2,15,16).
What are the key properties of 3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 336.75 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105359202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).