N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide

C20H20F2N4O4S2 — CID 41043783

IUPACN'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide
SMILESC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cc(F)cc4s3)cc2)C[C@H](C)O1
InChIInChI=1S/C20H20F2N4O4S2/c1-11-9-26(10-12(2)30-11)32(28,29)15-5-3-13(4-6-15)19(27)24-25-20-23-18-16(22)7-14(21)8-17(18)31-20/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)(H,24,27)/t11-,12-/m0/s1
InChIKeyGZLDDTXGSKKFPL-RYUDHWBXSA-N
MW482.53 g/mol
LogP3.13
Rot. Bonds5

About N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide

N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide (PubChem CID 41043783) has the molecular formula C20H20F2N4O4S2 and a molecular weight of 482.53 g/mol. Its IUPAC name is N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide
PubChem CID41043783
Molecular FormulaC20H20F2N4O4S2
Molecular Weight482.53 g/mol
Exact Mass482.09
IUPAC NameN'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide
SMILESC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cc(F)cc4s3)cc2)C[C@H](C)O1
InChIInChI=1S/C20H20F2N4O4S2/c1-11-9-26(10-12(2)30-11)32(28,29)15-5-3-13(4-6-15)19(27)24-25-20-23-18-16(22)7-14(21)8-17(18)31-20/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)(H,24,27)/t11-,12-/m0/s1
InChIKeyGZLDDTXGSKKFPL-RYUDHWBXSA-N
XLogP3.13
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 53.13
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'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide
CID 41043752
N'-(4-chloro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide
CID 41043726
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 16825074
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzohydrazide
CID 16814085
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 41101367
4-[[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]carbamoyl]-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 18553510
N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4558929
N-(2,4-difluorophenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2326591
N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzohydrazide
CID 41043754
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N'-(4-methyl-1,3-benzothiazol-2-yl)benzohydrazide
CID 40785257
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 5175673
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 22581327

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide?
The IUPAC name of N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide (CID 41043783) is N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide.
What is the SMILES notation for N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide?
The canonical SMILES for N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide is C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cc(F)cc4s3)cc2)C[C@H](C)O1.
What is the InChIKey of N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide?
The InChIKey is GZLDDTXGSKKFPL-RYUDHWBXSA-N. The full InChI is InChI=1S/C20H20F2N4O4S2/c1-11-9-26(10-12(2)30-11)32(28,29)15-5-3-13(4-6-15)19(27)24-25-20-23-18-16(22)7-14(21)8-17(18)31-20/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)(H,24,27)/t11-,12-/m0/s1.
What are the key properties of N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide?
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide has a molecular weight of 482.53 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide is sourced from PubChem (CID 41043783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).