N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxybenzenesulfonohydrazide

C14H13N3O5S2 — CID 4086536

IUPACN'-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxybenzenesulfonohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C14H13N3O5S2/c1-22-10-6-8-11(9-7-10)23(18,19)17-15-14-12-4-2-3-5-13(12)24(20,21)16-14/h2-9,17H,1H3,(H,15,16)
InChIKeyHWXJTKMCUNVJCB-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.63
Rot. Bonds4

About N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxybenzenesulfonohydrazide

N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxybenzenesulfonohydrazide (PubChem CID 4086536) has the molecular formula C14H13N3O5S2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxybenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxybenzenesulfonohydrazide
PubChem CID4086536
Molecular FormulaC14H13N3O5S2
Molecular Weight367.41 g/mol
Exact Mass367.03
IUPAC NameN'-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxybenzenesulfonohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C14H13N3O5S2/c1-22-10-6-8-11(9-7-10)23(18,19)17-15-14-12-4-2-3-5-13(12)24(20,21)16-14/h2-9,17H,1H3,(H,15,16)
InChIKeyHWXJTKMCUNVJCB-UHFFFAOYSA-N
XLogP0.63
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide
CID 21230099
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-1,1-dioxo-1,2-benzothiazol-3-amine
CID 110193181
N-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methyl-2-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 57147961
N-(2,5-dimethylpyrrol-1-yl)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 79107428
N-[2-[2-(1-hydroxyethyl)phenyl]phenyl]-4-methoxybenzenesulfonamide
CID 69255044
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-[2-(2-acetylphenyl)phenyl]-4-methoxybenzenesulfonamide
CID 58597404
4-methoxy-N'-[3-(4-methoxyphenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide
CID 155676859
2-[(4-methoxyphenyl)sulfonylsulfanylmethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 23523719
2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43882858
1,1-dioxo-N-(4-phenylmethoxyphenyl)-1,2-benzothiazol-3-amine
CID 1194613
N'-(benzenesulfonyl)-4-methoxybenzohydrazide
CID 795528

Frequently Asked Questions

What is the IUPAC name of N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxybenzenesulfonohydrazide?
The IUPAC name of N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxybenzenesulfonohydrazide (CID 4086536) is N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxybenzenesulfonohydrazide.
What is the SMILES notation for N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxybenzenesulfonohydrazide?
The canonical SMILES for N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxybenzenesulfonohydrazide is COc1ccc(S(=O)(=O)NNC2=NS(=O)(=O)c3ccccc32)cc1.
What is the InChIKey of N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxybenzenesulfonohydrazide?
The InChIKey is HWXJTKMCUNVJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S2/c1-22-10-6-8-11(9-7-10)23(18,19)17-15-14-12-4-2-3-5-13(12)24(20,21)16-14/h2-9,17H,1H3,(H,15,16).
What are the key properties of N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxybenzenesulfonohydrazide?
N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxybenzenesulfonohydrazide has a molecular weight of 367.41 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxybenzenesulfonohydrazide is sourced from PubChem (CID 4086536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).