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

C16H16BrN3O2S — CID 146022108

IUPACN-(5-bromonaphthalen-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2c(Br)cccc2c1
InChIInChI=1S/C16H16BrN3O2S/c1-10-16(11(2)20(3)18-10)23(21,22)19-13-7-8-14-12(9-13)5-4-6-15(14)17/h4-9,19H,1-3H3
InChIKeyPPGLDYXBNJLORA-UHFFFAOYSA-N
MW394.29 g/mol
LogP3.75
Rot. Bonds3

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

N-(5-bromonaphthalen-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 146022108) has the molecular formula C16H16BrN3O2S and a molecular weight of 394.29 g/mol. Its IUPAC name is N-(5-bromonaphthalen-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromonaphthalen-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID146022108
Molecular FormulaC16H16BrN3O2S
Molecular Weight394.29 g/mol
Exact Mass393.01
IUPAC NameN-(5-bromonaphthalen-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2c(Br)cccc2c1
InChIInChI=1S/C16H16BrN3O2S/c1-10-16(11(2)20(3)18-10)23(21,22)19-13-7-8-14-12(9-13)5-4-6-15(14)17/h4-9,19H,1-3H3
InChIKeyPPGLDYXBNJLORA-UHFFFAOYSA-N
XLogP3.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 53.75
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
N-[4-bromo-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823248
N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682880
N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773601
N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 106913044
N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822901
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62061884
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22202693
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 19683754
N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822254
N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62064019

Frequently Asked Questions

What is the IUPAC name of N-(5-bromonaphthalen-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(5-bromonaphthalen-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 146022108) is N-(5-bromonaphthalen-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-bromonaphthalen-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5-bromonaphthalen-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2c(Br)cccc2c1.
What is the InChIKey of N-(5-bromonaphthalen-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is PPGLDYXBNJLORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2S/c1-10-16(11(2)20(3)18-10)23(21,22)19-13-7-8-14-12(9-13)5-4-6-15(14)17/h4-9,19H,1-3H3.
What are the key properties of N-(5-bromonaphthalen-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(5-bromonaphthalen-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 394.29 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromonaphthalen-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 146022108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).