4-(3-bromo-4-fluorophenyl)-N,N-dimethyl-3-(6-methyl-2-pyridinyl)pyrazole-1-sulfonamide

C17H16BrFN4O2S — CID 69350901

IUPAC4-(3-bromo-4-fluorophenyl)-N,N-dimethyl-3-(6-methyl-2-pyridinyl)pyrazole-1-sulfonamide
SMILESCc1cccc(-c2nn(S(=O)(=O)N(C)C)cc2-c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C17H16BrFN4O2S/c1-11-5-4-6-16(20-11)17-13(12-7-8-15(19)14(18)9-12)10-23(21-17)26(24,25)22(2)3/h4-10H,1-3H3
InChIKeyGGYBMBLORVIAMC-UHFFFAOYSA-N
MW439.31 g/mol
LogP3.48
Rot. Bonds4

About 4-(3-bromo-4-fluorophenyl)-N,N-dimethyl-3-(6-methyl-2-pyridinyl)pyrazole-1-sulfonamide

4-(3-bromo-4-fluorophenyl)-N,N-dimethyl-3-(6-methyl-2-pyridinyl)pyrazole-1-sulfonamide (PubChem CID 69350901) has the molecular formula C17H16BrFN4O2S and a molecular weight of 439.31 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-N,N-dimethyl-3-(6-methyl-2-pyridinyl)pyrazole-1-sulfonamide.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-N,N-dimethyl-3-(6-methyl-2-pyridinyl)pyrazole-1-sulfonamide
PubChem CID69350901
Molecular FormulaC17H16BrFN4O2S
Molecular Weight439.31 g/mol
Exact Mass438.02
IUPAC Name4-(3-bromo-4-fluorophenyl)-N,N-dimethyl-3-(6-methyl-2-pyridinyl)pyrazole-1-sulfonamide
SMILESCc1cccc(-c2nn(S(=O)(=O)N(C)C)cc2-c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C17H16BrFN4O2S/c1-11-5-4-6-16(20-11)17-13(12-7-8-15(19)14(18)9-12)10-23(21-17)26(24,25)22(2)3/h4-10H,1-3H3
InChIKeyGGYBMBLORVIAMC-UHFFFAOYSA-N
XLogP3.48
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-N,N-dimethyl-3-(6-methyl-2-pyridinyl)pyrazole-1-sulfonamide?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-N,N-dimethyl-3-(6-methyl-2-pyridinyl)pyrazole-1-sulfonamide (CID 69350901) is 4-(3-bromo-4-fluorophenyl)-N,N-dimethyl-3-(6-methyl-2-pyridinyl)pyrazole-1-sulfonamide.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-N,N-dimethyl-3-(6-methyl-2-pyridinyl)pyrazole-1-sulfonamide?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-N,N-dimethyl-3-(6-methyl-2-pyridinyl)pyrazole-1-sulfonamide is Cc1cccc(-c2nn(S(=O)(=O)N(C)C)cc2-c2ccc(F)c(Br)c2)n1.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-N,N-dimethyl-3-(6-methyl-2-pyridinyl)pyrazole-1-sulfonamide?
The InChIKey is GGYBMBLORVIAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN4O2S/c1-11-5-4-6-16(20-11)17-13(12-7-8-15(19)14(18)9-12)10-23(21-17)26(24,25)22(2)3/h4-10H,1-3H3.
What are the key properties of 4-(3-bromo-4-fluorophenyl)-N,N-dimethyl-3-(6-methyl-2-pyridinyl)pyrazole-1-sulfonamide?
4-(3-bromo-4-fluorophenyl)-N,N-dimethyl-3-(6-methyl-2-pyridinyl)pyrazole-1-sulfonamide has a molecular weight of 439.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)-N,N-dimethyl-3-(6-methyl-2-pyridinyl)pyrazole-1-sulfonamide is sourced from PubChem (CID 69350901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).