N-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide

C10H9BrFN3O2S — CID 3698750

IUPACN-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1[nH]ncc1Br
InChIInChI=1S/C10H9BrFN3O2S/c1-6-2-3-7(12)4-9(6)18(16,17)15-10-8(11)5-13-14-10/h2-5H,1H3,(H2,13,14,15)
InChIKeyMVUMJMJFHYBAMA-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.42
Rot. Bonds3

About N-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide

N-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 3698750) has the molecular formula C10H9BrFN3O2S and a molecular weight of 334.17 g/mol. Its IUPAC name is N-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID3698750
Molecular FormulaC10H9BrFN3O2S
Molecular Weight334.17 g/mol
Exact Mass332.96
IUPAC NameN-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1[nH]ncc1Br
InChIInChI=1S/C10H9BrFN3O2S/c1-6-2-3-7(12)4-9(6)18(16,17)15-10-8(11)5-13-14-10/h2-5H,1H3,(H2,13,14,15)
InChIKeyMVUMJMJFHYBAMA-UHFFFAOYSA-N
XLogP2.42
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433428
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 104922677
N-(4-ethyl-1H-pyrazol-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 104621163
N-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
CID 3852469
N-(5-amino-4-methyl-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 61293161
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3726599
N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113267846
5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61283363
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691515
2-chloro-5-fluoro-N-(4-methylsulfanyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 75449048

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide (CID 3698750) is N-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1[nH]ncc1Br.
What is the InChIKey of N-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is MVUMJMJFHYBAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O2S/c1-6-2-3-7(12)4-9(6)18(16,17)15-10-8(11)5-13-14-10/h2-5H,1H3,(H2,13,14,15).
What are the key properties of N-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide?
N-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 334.17 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 3698750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).