N'-[2-(1,3-benzoxazol-2-yl)ethyl]thiophene-2-sulfonohydrazide

C13H13N3O3S2 — CID 175087915

IUPACN'-[2-(1,3-benzoxazol-2-yl)ethyl]thiophene-2-sulfonohydrazide
SMILESO=S(=O)(NNCCc1nc2ccccc2o1)c1cccs1
InChIInChI=1S/C13H13N3O3S2/c17-21(18,13-6-3-9-20-13)16-14-8-7-12-15-10-4-1-2-5-11(10)19-12/h1-6,9,14,16H,7-8H2
InChIKeyZOEGXWXEGRXZBW-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.91
Rot. Bonds6

About N'-[2-(1,3-benzoxazol-2-yl)ethyl]thiophene-2-sulfonohydrazide

N'-[2-(1,3-benzoxazol-2-yl)ethyl]thiophene-2-sulfonohydrazide (PubChem CID 175087915) has the molecular formula C13H13N3O3S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N'-[2-(1,3-benzoxazol-2-yl)ethyl]thiophene-2-sulfonohydrazide.

Molecular Properties

Compound NameN'-[2-(1,3-benzoxazol-2-yl)ethyl]thiophene-2-sulfonohydrazide
PubChem CID175087915
Molecular FormulaC13H13N3O3S2
Molecular Weight323.40 g/mol
Exact Mass323.04
IUPAC NameN'-[2-(1,3-benzoxazol-2-yl)ethyl]thiophene-2-sulfonohydrazide
SMILESO=S(=O)(NNCCc1nc2ccccc2o1)c1cccs1
InChIInChI=1S/C13H13N3O3S2/c17-21(18,13-6-3-9-20-13)16-14-8-7-12-15-10-4-1-2-5-11(10)19-12/h1-6,9,14,16H,7-8H2
InChIKeyZOEGXWXEGRXZBW-UHFFFAOYSA-N
XLogP1.91
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(1,3-benzoxazol-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonohydrazide
CID 175097538
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 110711884
N-[2-(1,3-benzoxazol-2-yl)ethyl]piperidine-1-sulfonamide
CID 125419022
N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110711871
1,3-benzoxazol-2-ylmethanesulfonic acid
CID 12745947
N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 9190738
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 110711803
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
CID 110321684
N-(1,3-benzoxazol-2-ylmethyl)-4-chlorobenzenesulfonamide
CID 110711714
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110711828
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110711801

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,3-benzoxazol-2-yl)ethyl]thiophene-2-sulfonohydrazide?
The IUPAC name of N'-[2-(1,3-benzoxazol-2-yl)ethyl]thiophene-2-sulfonohydrazide (CID 175087915) is N'-[2-(1,3-benzoxazol-2-yl)ethyl]thiophene-2-sulfonohydrazide.
What is the SMILES notation for N'-[2-(1,3-benzoxazol-2-yl)ethyl]thiophene-2-sulfonohydrazide?
The canonical SMILES for N'-[2-(1,3-benzoxazol-2-yl)ethyl]thiophene-2-sulfonohydrazide is O=S(=O)(NNCCc1nc2ccccc2o1)c1cccs1.
What is the InChIKey of N'-[2-(1,3-benzoxazol-2-yl)ethyl]thiophene-2-sulfonohydrazide?
The InChIKey is ZOEGXWXEGRXZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S2/c17-21(18,13-6-3-9-20-13)16-14-8-7-12-15-10-4-1-2-5-11(10)19-12/h1-6,9,14,16H,7-8H2.
What are the key properties of N'-[2-(1,3-benzoxazol-2-yl)ethyl]thiophene-2-sulfonohydrazide?
N'-[2-(1,3-benzoxazol-2-yl)ethyl]thiophene-2-sulfonohydrazide has a molecular weight of 323.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,3-benzoxazol-2-yl)ethyl]thiophene-2-sulfonohydrazide is sourced from PubChem (CID 175087915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).