ethyl 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetate

C11H13N5O4S — CID 137499947

IUPACethyl 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C11H13N5O4S/c1-2-20-10(17)7-12-21(18,19)9-5-3-8(4-6-9)11-13-15-16-14-11/h3-6,12H,2,7H2,1H3,(H,13,14,15,16)
InChIKeyCUPMHDZTAURZFY-UHFFFAOYSA-N
MW311.32 g/mol
LogP-0.29
Rot. Bonds6

About ethyl 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetate

ethyl 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetate (PubChem CID 137499947) has the molecular formula C11H13N5O4S and a molecular weight of 311.32 g/mol. Its IUPAC name is ethyl 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetate
PubChem CID137499947
Molecular FormulaC11H13N5O4S
Molecular Weight311.32 g/mol
Exact Mass311.07
IUPAC Nameethyl 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C11H13N5O4S/c1-2-20-10(17)7-12-21(18,19)9-5-3-8(4-6-9)11-13-15-16-14-11/h3-6,12H,2,7H2,1H3,(H,13,14,15,16)
InChIKeyCUPMHDZTAURZFY-UHFFFAOYSA-N
XLogP-0.29
TPSA126.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl {5-[4-(methylsulfonyl)phenyl]-2H-tetrazol-2-yl}acetate
CID 715241
({1-[4-(1H-Tetrazol-5-yl)-benzenesulfonyl]-piperidine-4-carbonyl}-amino)-acetic acid ethyl ester
CID 3197048
2-[[4-[2-(Tetrahydropyran-2-ylmethyl)tetrazol-5-yl]phenyl]sulfonylamino]acetamide
CID 137499787
Methyl 2-[[4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate
CID 137500211
2-[[4-[2-[(4-Fluorophenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetic acid
CID 137499672
2-fluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide
CID 137499735
3-fluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide
CID 137499907
2,3-difluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide
CID 137499946
Ethyl 2-[[4-[2-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate
CID 137500014
N-[4-(2H-tetrazol-5-yl)phenyl]sulfonylformamide
CID 23359141
N-methyl-4-(2H-tetrazol-5-yl)benzenesulfonamide
CID 23541052
2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetamide
CID 137499689

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetate?
The IUPAC name of ethyl 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetate (CID 137499947) is ethyl 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of ethyl 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetate?
The InChIKey is CUPMHDZTAURZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4S/c1-2-20-10(17)7-12-21(18,19)9-5-3-8(4-6-9)11-13-15-16-14-11/h3-6,12H,2,7H2,1H3,(H,13,14,15,16).
What are the key properties of ethyl 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetate?
ethyl 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetate has a molecular weight of 311.32 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetate is sourced from PubChem (CID 137499947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).