N-(1,3-benzothiazol-2-yl)-2-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide

C20H20ClN3O4S2 — CID 26370645

IUPACN-(1,3-benzothiazol-2-yl)-2-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc4ccccc4s3)c2)C[C@H](C)O1
InChIInChI=1S/C20H20ClN3O4S2/c1-12-10-24(11-13(2)28-12)30(26,27)14-7-8-16(21)15(9-14)19(25)23-20-22-17-5-3-4-6-18(17)29-20/h3-9,12-13H,10-11H2,1-2H3,(H,22,23,25)/t12-,13+
InChIKeyOGIJEGQTJQKYOD-BETUJISGSA-N
MW465.98 g/mol
LogP4.00
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide

N-(1,3-benzothiazol-2-yl)-2-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide (PubChem CID 26370645) has the molecular formula C20H20ClN3O4S2 and a molecular weight of 465.98 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
PubChem CID26370645
Molecular FormulaC20H20ClN3O4S2
Molecular Weight465.98 g/mol
Exact Mass465.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc4ccccc4s3)c2)C[C@H](C)O1
InChIInChI=1S/C20H20ClN3O4S2/c1-12-10-24(11-13(2)28-12)30(26,27)14-7-8-16(21)15(9-14)19(25)23-20-22-17-5-3-4-6-18(17)29-20/h3-9,12-13H,10-11H2,1-2H3,(H,22,23,25)/t12-,13+
InChIKeyOGIJEGQTJQKYOD-BETUJISGSA-N
XLogP4.00
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzothiazol-2-yl)-2-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide with MolForge

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Related Compounds

2-chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-nitrophenyl)benzamide
CID 2907806
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 5062728
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 5175673
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 2308187
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 22581327
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 27486484
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 42223983
N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
CID 106501274
2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 26243825
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 27604230
N'-(4-chloro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide
CID 41043726
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide (CID 26370645) is N-(1,3-benzothiazol-2-yl)-2-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide is C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc4ccccc4s3)c2)C[C@H](C)O1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
The InChIKey is OGIJEGQTJQKYOD-BETUJISGSA-N. The full InChI is InChI=1S/C20H20ClN3O4S2/c1-12-10-24(11-13(2)28-12)30(26,27)14-7-8-16(21)15(9-14)19(25)23-20-22-17-5-3-4-6-18(17)29-20/h3-9,12-13H,10-11H2,1-2H3,(H,22,23,25)/t12-,13+.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
N-(1,3-benzothiazol-2-yl)-2-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide has a molecular weight of 465.98 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide is sourced from PubChem (CID 26370645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).