5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide

C11H12Br2N4O2S — CID 106466652

IUPAC5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1c(Br)nnn1C)c1ccc(Br)cc1
InChIInChI=1S/C11H12Br2N4O2S/c1-7(8-3-5-9(12)6-4-8)15-20(18,19)11-10(13)14-16-17(11)2/h3-7,15H,1-2H3
InChIKeyDIFZUUOBQPPGBE-UHFFFAOYSA-N
MW424.12 g/mol
LogP2.38
Rot. Bonds4

About 5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide

5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide (PubChem CID 106466652) has the molecular formula C11H12Br2N4O2S and a molecular weight of 424.12 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide
PubChem CID106466652
Molecular FormulaC11H12Br2N4O2S
Molecular Weight424.12 g/mol
Exact Mass421.90
IUPAC Name5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1c(Br)nnn1C)c1ccc(Br)cc1
InChIInChI=1S/C11H12Br2N4O2S/c1-7(8-3-5-9(12)6-4-8)15-20(18,19)11-10(13)14-16-17(11)2/h3-7,15H,1-2H3
InChIKeyDIFZUUOBQPPGBE-UHFFFAOYSA-N
XLogP2.38
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.12
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-3-methyltriazole-4-sulfonamide
CID 103354519
5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-3-methyltriazole-4-sulfonamide
CID 106467672
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methyltriazole-4-sulfonamide
CID 106467335
2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid
CID 106465632
5-bromo-3-methyl-N-(3-methylpentan-2-yl)triazole-4-sulfonamide
CID 103354533
5-bromo-N-(4-bromopentan-2-yl)-3-methyltriazole-4-sulfonamide
CID 106468465
5-bromo-N-(1-bromo-4-methylpentan-2-yl)-3-methyltriazole-4-sulfonamide
CID 106468442
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 107869091
3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358529
5-bromo-N-(1-chloro-4-methylpentan-3-yl)-3-methyltriazole-4-sulfonamide
CID 106356450
2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-ethylpropanamide
CID 106467617
N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide
CID 47164706

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide (CID 106466652) is 5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide is CC(NS(=O)(=O)c1c(Br)nnn1C)c1ccc(Br)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide?
The InChIKey is DIFZUUOBQPPGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N4O2S/c1-7(8-3-5-9(12)6-4-8)15-20(18,19)11-10(13)14-16-17(11)2/h3-7,15H,1-2H3.
What are the key properties of 5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide?
5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide has a molecular weight of 424.12 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 106466652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).