3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide

C12H14BrN3O2S — CID 112697809

IUPAC3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2cccc(Br)c2)n[nH]1
InChIInChI=1S/C12H14BrN3O2S/c1-8(2)11-7-12(15-14-11)16-19(17,18)10-5-3-4-9(13)6-10/h3-8H,1-2H3,(H2,14,15,16)
InChIKeyXCXSBHYURJPUTD-UHFFFAOYSA-N
MW344.23 g/mol
LogP3.10
Rot. Bonds4

About 3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide

3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 112697809) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is 3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID112697809
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC Name3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2cccc(Br)c2)n[nH]1
InChIInChI=1S/C12H14BrN3O2S/c1-8(2)11-7-12(15-14-11)16-19(17,18)10-5-3-4-9(13)6-10/h3-8H,1-2H3,(H2,14,15,16)
InChIKeyXCXSBHYURJPUTD-UHFFFAOYSA-N
XLogP3.10
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115686443
4-bromo-3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 103761318
3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64527883
2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115686449
1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
CID 75426525
3-amino-5-chloro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616959
5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide
CID 104619455
1-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 104617525
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616923
1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
CID 104621218
3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 26966432
1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620764

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide (CID 112697809) is 3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide is CC(C)c1cc(NS(=O)(=O)c2cccc(Br)c2)n[nH]1.
What is the InChIKey of 3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is XCXSBHYURJPUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c1-8(2)11-7-12(15-14-11)16-19(17,18)10-5-3-4-9(13)6-10/h3-8H,1-2H3,(H2,14,15,16).
What are the key properties of 3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 344.23 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 112697809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).