N'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide

C14H11N3O3S2 — CID 125485508

IUPACN'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C14H11N3O3S2/c18-13(14-15-11-8-4-5-9-12(11)21-14)16-17-22(19,20)10-6-2-1-3-7-10/h1-9,17H,(H,16,18)
InChIKeyTXBDNDYNYKDYDP-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.92
Rot. Bonds4

About N'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide

N'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide (PubChem CID 125485508) has the molecular formula C14H11N3O3S2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide
PubChem CID125485508
Molecular FormulaC14H11N3O3S2
Molecular Weight333.39 g/mol
Exact Mass333.02
IUPAC NameN'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C14H11N3O3S2/c18-13(14-15-11-8-4-5-9-12(11)21-14)16-17-22(19,20)10-6-2-1-3-7-10/h1-9,17H,(H,16,18)
InChIKeyTXBDNDYNYKDYDP-UHFFFAOYSA-N
XLogP1.92
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide
CID 166414706
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
(E)-2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide
CID 165413100
N-[3-(1,3-benzothiazole-2-carbonylamino)-4-pyridinyl]-1,3-benzothiazole-2-carboxamide
CID 3308592
1-(1,3-benzothiazol-2-yl)-3-hydroxyprop-2-en-1-one
CID 51508743
2-[(Z)-2-(benzenesulfonyl)ethenyl]sulfonyl-1,3-benzothiazole
CID 155105423
N-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 24939194
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide
CID 5124389
N'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide
CID 2405730
(E)-2-(1,3-benzothiazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one
CID 135494332

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide (CID 125485508) is N'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of N'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide?
The InChIKey is TXBDNDYNYKDYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S2/c18-13(14-15-11-8-4-5-9-12(11)21-14)16-17-22(19,20)10-6-2-1-3-7-10/h1-9,17H,(H,16,18).
What are the key properties of N'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide?
N'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide has a molecular weight of 333.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide is sourced from PubChem (CID 125485508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).