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

C10H11ClN4O2S — CID 121177472

IUPAC2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1nccn1)c1ccccc1Cl
InChIInChI=1S/C10H11ClN4O2S/c11-9-3-1-2-4-10(9)18(16,17)14-7-8-15-12-5-6-13-15/h1-6,14H,7-8H2
InChIKeyWSENQUSPLVQAND-UHFFFAOYSA-N
MW286.74 g/mol
LogP0.91
Rot. Bonds5

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

2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 121177472) has the molecular formula C10H11ClN4O2S and a molecular weight of 286.74 g/mol. Its IUPAC name is 2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
PubChem CID121177472
Molecular FormulaC10H11ClN4O2S
Molecular Weight286.74 g/mol
Exact Mass286.03
IUPAC Name2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1nccn1)c1ccccc1Cl
InChIInChI=1S/C10H11ClN4O2S/c11-9-3-1-2-4-10(9)18(16,17)14-7-8-15-12-5-6-13-15/h1-6,14H,7-8H2
InChIKeyWSENQUSPLVQAND-UHFFFAOYSA-N
XLogP0.91
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121177465
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157
2-chloro-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721154
2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 129416500
2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 3794536
N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133713
2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267368
2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 16654544
2-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 114008764
2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 110712008
N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide
CID 39364398
2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 110720133

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide (CID 121177472) is 2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCn1nccn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is WSENQUSPLVQAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2S/c11-9-3-1-2-4-10(9)18(16,17)14-7-8-15-12-5-6-13-15/h1-6,14H,7-8H2.
What are the key properties of 2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide?
2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 286.74 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 121177472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).