2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide

C20H20ClN3O4S2 — CID 26243825

IUPAC2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc2nc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)sc2c1
InChIInChI=1S/C20H20ClN3O4S2/c1-2-13-3-6-17-18(11-13)29-20(22-17)23-19(25)15-12-14(4-5-16(15)21)30(26,27)24-7-9-28-10-8-24/h3-6,11-12H,2,7-10H2,1H3,(H,22,23,25)
InChIKeyRNYITYPRXLSANM-UHFFFAOYSA-N
MW465.98 g/mol
LogP3.79
Rot. Bonds5

About 2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide

2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 26243825) has the molecular formula C20H20ClN3O4S2 and a molecular weight of 465.98 g/mol. Its IUPAC name is 2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID26243825
Molecular FormulaC20H20ClN3O4S2
Molecular Weight465.98 g/mol
Exact Mass465.06
IUPAC Name2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc2nc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)sc2c1
InChIInChI=1S/C20H20ClN3O4S2/c1-2-13-3-6-17-18(11-13)29-20(22-17)23-19(25)15-12-14(4-5-16(15)21)30(26,27)24-7-9-28-10-8-24/h3-6,11-12H,2,7-10H2,1H3,(H,22,23,25)
InChIKeyRNYITYPRXLSANM-UHFFFAOYSA-N
XLogP3.79
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 4057276
N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 4219162
N-(1,3-benzothiazol-2-yl)-2-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26370645
N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 4107859
2-ethylsulfonyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 55625032
2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 2331045
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853455
N'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide
CID 18553490
2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide
CID 8883217
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2332761

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide (CID 26243825) is 2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide is CCc1ccc2nc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)sc2c1.
What is the InChIKey of 2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RNYITYPRXLSANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4S2/c1-2-13-3-6-17-18(11-13)29-20(22-17)23-19(25)15-12-14(4-5-16(15)21)30(26,27)24-7-9-28-10-8-24/h3-6,11-12H,2,7-10H2,1H3,(H,22,23,25).
What are the key properties of 2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 465.98 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 26243825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).