2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide

C9H10ClN5O2S — CID 110720133

IUPAC2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1nn[nH]n1)c1ccccc1Cl
InChIInChI=1S/C9H10ClN5O2S/c10-7-3-1-2-4-8(7)18(16,17)11-6-5-9-12-14-15-13-9/h1-4,11H,5-6H2,(H,12,13,14,15)
InChIKeyCIQZJYQMUTXKAX-UHFFFAOYSA-N
MW287.73 g/mol
LogP0.37
Rot. Bonds5

About 2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide

2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 110720133) has the molecular formula C9H10ClN5O2S and a molecular weight of 287.73 g/mol. Its IUPAC name is 2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
PubChem CID110720133
Molecular FormulaC9H10ClN5O2S
Molecular Weight287.73 g/mol
Exact Mass287.02
IUPAC Name2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1nn[nH]n1)c1ccccc1Cl
InChIInChI=1S/C9H10ClN5O2S/c10-7-3-1-2-4-8(7)18(16,17)11-6-5-9-12-14-15-13-9/h1-4,11H,5-6H2,(H,12,13,14,15)
InChIKeyCIQZJYQMUTXKAX-UHFFFAOYSA-N
XLogP0.37
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
CID 110720119
N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133713
2-chloro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110368569
2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 110712008
2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121177472
2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide
CID 166178541
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-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 3685302
N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide
CID 39364398
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157
2-chloro-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721154

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide (CID 110720133) is 2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1nn[nH]n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is CIQZJYQMUTXKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O2S/c10-7-3-1-2-4-8(7)18(16,17)11-6-5-9-12-14-15-13-9/h1-4,11H,5-6H2,(H,12,13,14,15).
What are the key properties of 2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 287.73 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110720133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).