4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide

C12H14BrN3O2S — CID 91648724

IUPAC4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide
SMILESCc1cc(Br)ccc1S(=O)(=O)Nc1cc(C)n(C)n1
InChIInChI=1S/C12H14BrN3O2S/c1-8-6-10(13)4-5-11(8)19(17,18)15-12-7-9(2)16(3)14-12/h4-7H,1-3H3,(H,14,15)
InChIKeyBUIPCKHNNKIWIO-UHFFFAOYSA-N
MW344.23 g/mol
LogP2.60
Rot. Bonds3

About 4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide

4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide (PubChem CID 91648724) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is 4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide
PubChem CID91648724
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC Name4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide
SMILESCc1cc(Br)ccc1S(=O)(=O)Nc1cc(C)n(C)n1
InChIInChI=1S/C12H14BrN3O2S/c1-8-6-10(13)4-5-11(8)19(17,18)15-12-7-9(2)16(3)14-12/h4-7H,1-3H3,(H,14,15)
InChIKeyBUIPCKHNNKIWIO-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-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561076
5-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methoxypyridine-3-sulfonamide
CID 126832864
4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561188
4-bromo-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 91660871
4-bromo-N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide
CID 50796706
6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710724
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562
4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 86796625
2-amino-5-bromo-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 54888796
4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide
CID 35397514
2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid
CID 91645949
N-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide
CID 22209133

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide (CID 91648724) is 4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide is Cc1cc(Br)ccc1S(=O)(=O)Nc1cc(C)n(C)n1.
What is the InChIKey of 4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide?
The InChIKey is BUIPCKHNNKIWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c1-8-6-10(13)4-5-11(8)19(17,18)15-12-7-9(2)16(3)14-12/h4-7H,1-3H3,(H,14,15).
What are the key properties of 4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide?
4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide 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-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 91648724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).