N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C10H9ClFN3O2S — CID 54930110

IUPACN-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H9ClFN3O2S/c1-6-10(5-13-14-6)18(16,17)15-7-2-3-9(12)8(11)4-7/h2-5,15H,1H3,(H,13,14)
InChIKeyPESBKBOSFAAOOA-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.31
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54930110) has the molecular formula C10H9ClFN3O2S and a molecular weight of 289.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54930110
Molecular FormulaC10H9ClFN3O2S
Molecular Weight289.72 g/mol
Exact Mass289.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H9ClFN3O2S/c1-6-10(5-13-14-6)18(16,17)15-7-2-3-9(12)8(11)4-7/h2-5,15H,1H3,(H,13,14)
InChIKeyPESBKBOSFAAOOA-UHFFFAOYSA-N
XLogP2.31
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61228449
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911975
N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54944574
N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115620973
N-(3-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683530
N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176
N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929733
5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54955523
4-chloro-N-(3-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 4849983
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629247
3-amino-N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885675

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 54930110) is N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is PESBKBOSFAAOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2S/c1-6-10(5-13-14-6)18(16,17)15-7-2-3-9(12)8(11)4-7/h2-5,15H,1H3,(H,13,14).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 289.72 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54930110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).