N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide

C19H18ClN3O4S2 — CID 5003139

IUPACN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(Cl)cc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc12
InChIInChI=1S/C19H18ClN3O4S2/c1-12-10-14(20)11-16-17(12)21-19(28-16)22-18(24)13-2-4-15(5-3-13)29(25,26)23-6-8-27-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,22,24)
InChIKeyOWBPWJQMGARRLD-UHFFFAOYSA-N
MW451.96 g/mol
LogP3.53
Rot. Bonds4

About N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 5003139) has the molecular formula C19H18ClN3O4S2 and a molecular weight of 451.96 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID5003139
Molecular FormulaC19H18ClN3O4S2
Molecular Weight451.96 g/mol
Exact Mass451.04
IUPAC NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(Cl)cc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc12
InChIInChI=1S/C19H18ClN3O4S2/c1-12-10-14(20)11-16-17(12)21-19(28-16)22-18(24)13-2-4-15(5-3-13)29(25,26)23-6-8-27-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,22,24)
InChIKeyOWBPWJQMGARRLD-UHFFFAOYSA-N
XLogP3.53
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2382444
N-(4-fluoro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2159214
N-(4-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2640846
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 41101367
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828461
N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 4616787
3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 42387615
4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 3567285
N'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide
CID 18553490
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 44932418
4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4058144
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2159265

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide (CID 5003139) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide is Cc1cc(Cl)cc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc12.
What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is OWBPWJQMGARRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S2/c1-12-10-14(20)11-16-17(12)21-19(28-16)22-18(24)13-2-4-15(5-3-13)29(25,26)23-6-8-27-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,22,24).
What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 451.96 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 5003139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).