2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide

C5H10ClN5O2S — CID 107651825

IUPAC2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide
SMILESCC(NS(=O)(=O)CCCl)c1nn[nH]n1
InChIInChI=1S/C5H10ClN5O2S/c1-4(5-7-10-11-8-5)9-14(12,13)3-2-6/h4,9H,2-3H2,1H3,(H,7,8,10,11)
InChIKeyLFQBRIICRHCXIT-UHFFFAOYSA-N
MW239.69 g/mol
LogP-0.58
Rot. Bonds5

About 2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide

2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide (PubChem CID 107651825) has the molecular formula C5H10ClN5O2S and a molecular weight of 239.69 g/mol. Its IUPAC name is 2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide
PubChem CID107651825
Molecular FormulaC5H10ClN5O2S
Molecular Weight239.69 g/mol
Exact Mass239.02
IUPAC Name2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide
SMILESCC(NS(=O)(=O)CCCl)c1nn[nH]n1
InChIInChI=1S/C5H10ClN5O2S/c1-4(5-7-10-11-8-5)9-14(12,13)3-2-6/h4,9H,2-3H2,1H3,(H,7,8,10,11)
InChIKeyLFQBRIICRHCXIT-UHFFFAOYSA-N
XLogP-0.58
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.69
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
CID 106051367
3-(propylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
CID 114140776
1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide
CID 106051448
N-methyl-1-(2H-tetrazol-5-yl)ethanamine
CID 50988513
4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 55207573
2-chloro-N-[(1S)-1-pyridin-4-ylethyl]ethanesulfonamide
CID 107858762
2-chloro-N-(1-pyridin-4-ylethyl)ethanesulfonamide
CID 107650505
2,6-dimethyl-4-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 107328797
5-(aminomethyl)-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051320
2-chloro-N-[(1S)-1-pyridin-3-ylethyl]ethanesulfonamide
CID 107858694
5-(1-chloroethyl)-2H-tetrazole
CID 24820228
2-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanesulfonamide
CID 107651266

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide (CID 107651825) is 2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide is CC(NS(=O)(=O)CCCl)c1nn[nH]n1.
What is the InChIKey of 2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide?
The InChIKey is LFQBRIICRHCXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClN5O2S/c1-4(5-7-10-11-8-5)9-14(12,13)3-2-6/h4,9H,2-3H2,1H3,(H,7,8,10,11).
What are the key properties of 2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide?
2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide has a molecular weight of 239.69 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 107651825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).