5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methyltriazole-4-sulfonamide

C11H11BrCl2N4O2S — CID 106467335

IUPAC5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methyltriazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1c(Br)nnn1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11BrCl2N4O2S/c1-6(8-4-3-7(13)5-9(8)14)16-21(19,20)11-10(12)15-17-18(11)2/h3-6,16H,1-2H3
InChIKeyOUYXQISKLPJPAU-UHFFFAOYSA-N
MW414.11 g/mol
LogP2.92
Rot. Bonds4

About 5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methyltriazole-4-sulfonamide

5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methyltriazole-4-sulfonamide (PubChem CID 106467335) has the molecular formula C11H11BrCl2N4O2S and a molecular weight of 414.11 g/mol. Its IUPAC name is 5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methyltriazole-4-sulfonamide
PubChem CID106467335
Molecular FormulaC11H11BrCl2N4O2S
Molecular Weight414.11 g/mol
Exact Mass411.92
IUPAC Name5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methyltriazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1c(Br)nnn1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11BrCl2N4O2S/c1-6(8-4-3-7(13)5-9(8)14)16-21(19,20)11-10(12)15-17-18(11)2/h3-6,16H,1-2H3
InChIKeyOUYXQISKLPJPAU-UHFFFAOYSA-N
XLogP2.92
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.11
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-3-methyltriazole-4-sulfonamide
CID 106467672
5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide
CID 106466652
N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide
CID 47108536
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-chloro-4-methylpentan-3-yl)-3-methyltriazole-4-sulfonamide
CID 106356450
5-bromo-N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyltriazole-4-sulfonamide
CID 106467728
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine
CID 167808600
5-bromo-N-(1-bromo-4-methylpentan-2-yl)-3-methyltriazole-4-sulfonamide
CID 106468442
N-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide
CID 60745550
2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid
CID 106465632
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 61298597

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methyltriazole-4-sulfonamide (CID 106467335) is 5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methyltriazole-4-sulfonamide is CC(NS(=O)(=O)c1c(Br)nnn1C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methyltriazole-4-sulfonamide?
The InChIKey is OUYXQISKLPJPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl2N4O2S/c1-6(8-4-3-7(13)5-9(8)14)16-21(19,20)11-10(12)15-17-18(11)2/h3-6,16H,1-2H3.
What are the key properties of 5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methyltriazole-4-sulfonamide?
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methyltriazole-4-sulfonamide has a molecular weight of 414.11 g/mol, XLogP of 2.92, 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-(2,4-dichlorophenyl)ethyl]-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 106467335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).