5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide

C11H12Br2N4O2S — CID 106466685

IUPAC5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C11H12Br2N4O2S/c1-3-7-6-8(12)4-5-9(7)15-20(18,19)11-10(13)14-16-17(11)2/h4-6,15H,3H2,1-2H3
InChIKeyOGSCVLMNKGOFIL-UHFFFAOYSA-N
MW424.12 g/mol
LogP2.70
Rot. Bonds4

About 5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide

5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide (PubChem CID 106466685) has the molecular formula C11H12Br2N4O2S and a molecular weight of 424.12 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide
PubChem CID106466685
Molecular FormulaC11H12Br2N4O2S
Molecular Weight424.12 g/mol
Exact Mass421.90
IUPAC Name5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C11H12Br2N4O2S/c1-3-7-6-8(12)4-5-9(7)15-20(18,19)11-10(13)14-16-17(11)2/h4-6,15H,3H2,1-2H3
InChIKeyOGSCVLMNKGOFIL-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]benzoic acid
CID 106465739
5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide
CID 106466748
4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-3-hydroxybenzoic acid
CID 106465733
N-(4-bromo-2-ethylphenyl)methanesulfonamide
CID 6469152
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
5-bromo-3-methyl-N-(2,4,6-trifluorophenyl)triazole-4-sulfonamide
CID 106468063
5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide
CID 106467435
5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide
CID 103354389
N-(3-aminophenyl)-5-bromo-3-methyltriazole-4-sulfonamide
CID 106465418
3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-4-chlorobenzenecarbothioamide
CID 106466568
5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide
CID 106466652
5-bromo-3-methyl-N-quinoxalin-6-yltriazole-4-sulfonamide
CID 103354478

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide (CID 106466685) is 5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide is CCc1cc(Br)ccc1NS(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide?
The InChIKey is OGSCVLMNKGOFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N4O2S/c1-3-7-6-8(12)4-5-9(7)15-20(18,19)11-10(13)14-16-17(11)2/h4-6,15H,3H2,1-2H3.
What are the key properties of 5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide?
5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide has a molecular weight of 424.12 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 106466685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).