N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide

C24H20FN3O4S2 — CID 2555158

IUPACN-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(c1ccc(F)cc1)c1nc2ccccc2s1
InChIInChI=1S/C24H20FN3O4S2/c25-18-8-10-19(11-9-18)28(24-26-21-6-1-2-7-22(21)33-24)23(29)17-4-3-5-20(16-17)34(30,31)27-12-14-32-15-13-27/h1-11,16H,12-15H2
InChIKeyJCCQWKZTPMWKIK-UHFFFAOYSA-N
MW497.57 g/mol
LogP4.43
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide

N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2555158) has the molecular formula C24H20FN3O4S2 and a molecular weight of 497.57 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2555158
Molecular FormulaC24H20FN3O4S2
Molecular Weight497.57 g/mol
Exact Mass497.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(c1ccc(F)cc1)c1nc2ccccc2s1
InChIInChI=1S/C24H20FN3O4S2/c25-18-8-10-19(11-9-18)28(24-26-21-6-1-2-7-22(21)33-24)23(29)17-4-3-5-20(16-17)34(30,31)27-12-14-32-15-13-27/h1-11,16H,12-15H2
InChIKeyJCCQWKZTPMWKIK-UHFFFAOYSA-N
XLogP4.43
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 5061561
N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 4851898
3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41167603
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 18563741
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138171
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]-4-morpholin-4-ylsulfonylbenzamide
CID 44942210
N-(1H-benzimidazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2583657
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 18581814
N-benzyl-3-morpholin-4-ylsulfonyl-N-phenylbenzamide
CID 26731438
N-[(E)-(4-fluorophenyl)methylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 44945861
N-(1,3-benzothiazol-2-yl)-4-fluoro-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37494431
(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 4855032

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 2555158) is N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide is O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(c1ccc(F)cc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JCCQWKZTPMWKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4S2/c25-18-8-10-19(11-9-18)28(24-26-21-6-1-2-7-22(21)33-24)23(29)17-4-3-5-20(16-17)34(30,31)27-12-14-32-15-13-27/h1-11,16H,12-15H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 497.57 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2555158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).