4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C12H14BrN3O2S — CID 3716725

IUPAC4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrN3O2S/c1-8-12(9(2)16(3)14-8)15-19(17,18)11-6-4-10(13)5-7-11/h4-7,15H,1-3H3
InChIKeyODLKLGDTIUDPGY-UHFFFAOYSA-N
MW344.23 g/mol
LogP2.60
Rot. Bonds3

About 4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 3716725) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is 4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID3716725
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC Name4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrN3O2S/c1-8-12(9(2)16(3)14-8)15-19(17,18)11-6-4-10(13)5-7-11/h4-7,15H,1-3H3
InChIKeyODLKLGDTIUDPGY-UHFFFAOYSA-N
XLogP2.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide
CID 58561364
4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561076
4-(trifluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3346091
4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 22209076
4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561188
N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 17426352
4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3164045
3-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,3-disulfonamide
CID 18292001
3-methyl-4-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 166213875
N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 47267596
2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide
CID 61053156
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-propylbenzenesulfonamide
CID 22202905

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 3716725) is 4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is ODLKLGDTIUDPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c1-8-12(9(2)16(3)14-8)15-19(17,18)11-6-4-10(13)5-7-11/h4-7,15H,1-3H3.
What are the key properties of 4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 344.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 3716725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).