5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide

C11H13BrN4O2S — CID 61125991

IUPAC5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn[nH]c1N)c1cccc(Br)c1
InChIInChI=1S/C11H13BrN4O2S/c1-7(8-3-2-4-9(12)5-8)16-19(17,18)10-6-14-15-11(10)13/h2-7,16H,1H3,(H3,13,14,15)
InChIKeyAXSYHAPEQHTLIH-UHFFFAOYSA-N
MW345.22 g/mol
LogP1.79
Rot. Bonds4

About 5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide

5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61125991) has the molecular formula C11H13BrN4O2S and a molecular weight of 345.22 g/mol. Its IUPAC name is 5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID61125991
Molecular FormulaC11H13BrN4O2S
Molecular Weight345.22 g/mol
Exact Mass343.99
IUPAC Name5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn[nH]c1N)c1cccc(Br)c1
InChIInChI=1S/C11H13BrN4O2S/c1-7(8-3-2-4-9(12)5-8)16-19(17,18)10-6-14-15-11(10)13/h2-7,16H,1H3,(H3,13,14,15)
InChIKeyAXSYHAPEQHTLIH-UHFFFAOYSA-N
XLogP1.79
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 61125800
2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 63420635
5-amino-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 60814185
5-amino-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-sulfonamide
CID 60810093
N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106833768
5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 60810253
5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide
CID 107596356
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 28560356
5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922704
5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54922801
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 43874274
5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide
CID 55160188

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide (CID 61125991) is 5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide is CC(NS(=O)(=O)c1cn[nH]c1N)c1cccc(Br)c1.
What is the InChIKey of 5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is AXSYHAPEQHTLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S/c1-7(8-3-2-4-9(12)5-8)16-19(17,18)10-6-14-15-11(10)13/h2-7,16H,1H3,(H3,13,14,15).
What are the key properties of 5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 345.22 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61125991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).