N'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide

C18H17ClN4O4S2 — CID 18553490

IUPACN'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNc1nc2ccc(Cl)cc2s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H17ClN4O4S2/c19-13-3-6-15-16(11-13)28-18(20-15)22-21-17(24)12-1-4-14(5-2-12)29(25,26)23-7-9-27-10-8-23/h1-6,11H,7-10H2,(H,20,22)(H,21,24)
InChIKeyUOMBGCDTXFSSFI-UHFFFAOYSA-N
MW452.95 g/mol
LogP2.73
Rot. Bonds5

About N'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide

N'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 18553490) has the molecular formula C18H17ClN4O4S2 and a molecular weight of 452.95 g/mol. Its IUPAC name is N'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID18553490
Molecular FormulaC18H17ClN4O4S2
Molecular Weight452.95 g/mol
Exact Mass452.04
IUPAC NameN'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNc1nc2ccc(Cl)cc2s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H17ClN4O4S2/c19-13-3-6-15-16(11-13)28-18(20-15)22-21-17(24)12-1-4-14(5-2-12)29(25,26)23-7-9-27-10-8-23/h1-6,11H,7-10H2,(H,20,22)(H,21,24)
InChIKeyUOMBGCDTXFSSFI-UHFFFAOYSA-N
XLogP2.73
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-chloro-1,3-benzothiazol-2-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzohydrazide
CID 41043749
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 41115268
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 5003139
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 44894345
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N'-(6-methyl-1,3-benzothiazol-2-yl)benzohydrazide
CID 41043736
2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 26243825
N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 4219162
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 46341352
N'-(6-methoxy-1,3-benzothiazol-2-yl)-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzohydrazide
CID 41043740
N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 4107859
2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828458
4-(azepan-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701476

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide (CID 18553490) is N'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide is O=C(NNc1nc2ccc(Cl)cc2s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is UOMBGCDTXFSSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4S2/c19-13-3-6-15-16(11-13)28-18(20-15)22-21-17(24)12-1-4-14(5-2-12)29(25,26)23-7-9-27-10-8-23/h1-6,11H,7-10H2,(H,20,22)(H,21,24).
What are the key properties of N'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide?
N'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 452.95 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 18553490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).