4-bromo-2,6-dimethyl-N-(5-methyl-2-pentylpyrazol-3-yl)benzenesulfonamide

C17H24BrN3O2S — CID 166351098

IUPAC4-bromo-2,6-dimethyl-N-(5-methyl-2-pentylpyrazol-3-yl)benzenesulfonamide
SMILESCCCCCn1nc(C)cc1NS(=O)(=O)c1c(C)cc(Br)cc1C
InChIInChI=1S/C17H24BrN3O2S/c1-5-6-7-8-21-16(11-14(4)19-21)20-24(22,23)17-12(2)9-15(18)10-13(17)3/h9-11,20H,5-8H2,1-4H3
InChIKeyOWNSOBBCTQRINP-UHFFFAOYSA-N
MW414.37 g/mol
LogP4.56
Rot. Bonds7

About 4-bromo-2,6-dimethyl-N-(5-methyl-2-pentylpyrazol-3-yl)benzenesulfonamide

4-bromo-2,6-dimethyl-N-(5-methyl-2-pentylpyrazol-3-yl)benzenesulfonamide (PubChem CID 166351098) has the molecular formula C17H24BrN3O2S and a molecular weight of 414.37 g/mol. Its IUPAC name is 4-bromo-2,6-dimethyl-N-(5-methyl-2-pentylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dimethyl-N-(5-methyl-2-pentylpyrazol-3-yl)benzenesulfonamide
PubChem CID166351098
Molecular FormulaC17H24BrN3O2S
Molecular Weight414.37 g/mol
Exact Mass413.08
IUPAC Name4-bromo-2,6-dimethyl-N-(5-methyl-2-pentylpyrazol-3-yl)benzenesulfonamide
SMILESCCCCCn1nc(C)cc1NS(=O)(=O)c1c(C)cc(Br)cc1C
InChIInChI=1S/C17H24BrN3O2S/c1-5-6-7-8-21-16(11-14(4)19-21)20-24(22,23)17-12(2)9-15(18)10-13(17)3/h9-11,20H,5-8H2,1-4H3
InChIKeyOWNSOBBCTQRINP-UHFFFAOYSA-N
XLogP4.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.37
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine
CID 176584834
(2S)-2-amino-N-(2-butyl-5-methylpyrazol-3-yl)-2-phenylacetamide
CID 134696339
2-heptyl-5-methylpyrazole-3-carbaldehyde
CID 139675296
2-hexyl-5-methylpyrazole-3-carbaldehyde
CID 139675232
4-bromo-2,6-dimethyl-N-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 166186600
2-amino-5-bromo-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 54888796
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
2-butyl-5-methylpyrazole-3-carboxylic acid
CID 68714400
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide
CID 54921964
(3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 154914443
4-bromo-2,6-dimethyl-N-(6-propan-2-yloxypyridazin-3-yl)benzenesulfonamide
CID 166234259

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dimethyl-N-(5-methyl-2-pentylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dimethyl-N-(5-methyl-2-pentylpyrazol-3-yl)benzenesulfonamide (CID 166351098) is 4-bromo-2,6-dimethyl-N-(5-methyl-2-pentylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dimethyl-N-(5-methyl-2-pentylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dimethyl-N-(5-methyl-2-pentylpyrazol-3-yl)benzenesulfonamide is CCCCCn1nc(C)cc1NS(=O)(=O)c1c(C)cc(Br)cc1C.
What is the InChIKey of 4-bromo-2,6-dimethyl-N-(5-methyl-2-pentylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is OWNSOBBCTQRINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2S/c1-5-6-7-8-21-16(11-14(4)19-21)20-24(22,23)17-12(2)9-15(18)10-13(17)3/h9-11,20H,5-8H2,1-4H3.
What are the key properties of 4-bromo-2,6-dimethyl-N-(5-methyl-2-pentylpyrazol-3-yl)benzenesulfonamide?
4-bromo-2,6-dimethyl-N-(5-methyl-2-pentylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 414.37 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dimethyl-N-(5-methyl-2-pentylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 166351098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).