N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C12H13Br2N3O2S — CID 22773601

IUPACN-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2N3O2S/c1-7-12(8(2)17(3)15-7)20(18,19)16-11-5-4-9(13)6-10(11)14/h4-6,16H,1-3H3
InChIKeyWNHFARRZGVUIMF-UHFFFAOYSA-N
MW423.13 g/mol
LogP3.36
Rot. Bonds3

About N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 22773601) has the molecular formula C12H13Br2N3O2S and a molecular weight of 423.13 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID22773601
Molecular FormulaC12H13Br2N3O2S
Molecular Weight423.13 g/mol
Exact Mass420.91
IUPAC NameN-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2N3O2S/c1-7-12(8(2)17(3)15-7)20(18,19)16-11-5-4-9(13)6-10(11)14/h4-6,16H,1-3H3
InChIKeyWNHFARRZGVUIMF-UHFFFAOYSA-N
XLogP3.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.13
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62064019
3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358087
N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773457
N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822446
N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 65499921
N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682880
N-(3-bromo-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104779597
N-(4-fluoro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 63676567
N-(2-amino-6-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 116813776
N-(5-bromonaphthalen-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 146022108
N-[4-bromo-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823248
N-(2-bromo-4-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773989

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 22773601) is N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is WNHFARRZGVUIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3O2S/c1-7-12(8(2)17(3)15-7)20(18,19)16-11-5-4-9(13)6-10(11)14/h4-6,16H,1-3H3.
What are the key properties of N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 423.13 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22773601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).