4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide

C10H10BrClN4O2S — CID 113375159

IUPAC4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1ccnn1)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H10BrClN4O2S/c11-8-1-2-10(9(12)7-8)19(17,18)14-4-6-16-5-3-13-15-16/h1-3,5,7,14H,4,6H2
InChIKeyCYBJELIZTOTRRM-UHFFFAOYSA-N
MW365.64 g/mol
LogP1.67
Rot. Bonds5

About 4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide

4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 113375159) has the molecular formula C10H10BrClN4O2S and a molecular weight of 365.64 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
PubChem CID113375159
Molecular FormulaC10H10BrClN4O2S
Molecular Weight365.64 g/mol
Exact Mass363.94
IUPAC Name4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1ccnn1)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H10BrClN4O2S/c11-8-1-2-10(9(12)7-8)19(17,18)14-4-6-16-5-3-13-15-16/h1-3,5,7,14H,4,6H2
InChIKeyCYBJELIZTOTRRM-UHFFFAOYSA-N
XLogP1.67
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.64
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 116528824
2-chloro-4-(3-hydroxyphenyl)-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 171385880
4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133710
4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599807
2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid
CID 107090248
4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide
CID 113413216
2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 106077186
4-bromo-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 49460259
5-(aminomethyl)-2-bromo-N-[3-(triazol-1-yl)propyl]benzenesulfonamide
CID 106077026
N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693334
4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 55735040
5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 106077256

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide (CID 113375159) is 4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCn1ccnn1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is CYBJELIZTOTRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4O2S/c11-8-1-2-10(9(12)7-8)19(17,18)14-4-6-16-5-3-13-15-16/h1-3,5,7,14H,4,6H2.
What are the key properties of 4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 365.64 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 113375159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).