[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate

C16H15N5O5S — CID 25037674

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C16H15N5O5S/c17-27(24,25)12-7-5-11(6-8-12)18-15(22)10-26-16(23)9-21-14-4-2-1-3-13(14)19-20-21/h1-8H,9-10H2,(H,18,22)(H2,17,24,25)
InChIKeyRNDOWBZGKLAOMS-UHFFFAOYSA-N
MW389.39 g/mol
LogP0.26
Rot. Bonds6

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate (PubChem CID 25037674) has the molecular formula C16H15N5O5S and a molecular weight of 389.39 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate
PubChem CID25037674
Molecular FormulaC16H15N5O5S
Molecular Weight389.39 g/mol
Exact Mass389.08
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C16H15N5O5S/c17-27(24,25)12-7-5-11(6-8-12)18-15(22)10-26-16(23)9-21-14-4-2-1-3-13(14)19-20-21/h1-8H,9-10H2,(H,18,22)(H2,17,24,25)
InChIKeyRNDOWBZGKLAOMS-UHFFFAOYSA-N
XLogP0.26
TPSA146.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2-cyanoanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23791724
[2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 2554046
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23964451
[2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23908032
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 4029983
3-[2-(benzotriazol-1-yl)acetyl]oxypropyl 2-(benzotriazol-1-yl)acetate
CID 55567943
4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
CID 855546
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 55374030
(4-acetamidophenyl) 2-(benzotriazol-1-yl)acetate
CID 51189087
methyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
CID 645249
[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 55481454
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate
CID 2608393

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate (CID 25037674) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)Cn2nnc3ccccc32)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate?
The InChIKey is RNDOWBZGKLAOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O5S/c17-27(24,25)12-7-5-11(6-8-12)18-15(22)10-26-16(23)9-21-14-4-2-1-3-13(14)19-20-21/h1-8H,9-10H2,(H,18,22)(H2,17,24,25).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate has a molecular weight of 389.39 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 25037674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).