N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C12H12BrF2N3O2S — CID 65499921

IUPACN-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H12BrF2N3O2S/c1-6-12(7(2)18(3)16-6)21(19,20)17-11-9(14)4-8(13)5-10(11)15/h4-5,17H,1-3H3
InChIKeyWRZUDUWTWIUCLD-UHFFFAOYSA-N
MW380.21 g/mol
LogP2.88
Rot. Bonds3

About N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 65499921) has the molecular formula C12H12BrF2N3O2S and a molecular weight of 380.21 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID65499921
Molecular FormulaC12H12BrF2N3O2S
Molecular Weight380.21 g/mol
Exact Mass378.98
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H12BrF2N3O2S/c1-6-12(7(2)18(3)16-6)21(19,20)17-11-9(14)4-8(13)5-10(11)15/h4-5,17H,1-3H3
InChIKeyWRZUDUWTWIUCLD-UHFFFAOYSA-N
XLogP2.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104779597
4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561188
N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773601
N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682880
N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773457
N-(2-amino-6-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 116813776
N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822901
3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358264
N-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 107334292
N-[4-bromo-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823248
N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62064019
N-(4-fluoro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 63676567

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 65499921) is N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is WRZUDUWTWIUCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF2N3O2S/c1-6-12(7(2)18(3)16-6)21(19,20)17-11-9(14)4-8(13)5-10(11)15/h4-5,17H,1-3H3.
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 380.21 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 65499921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).