N-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide

C16H15Cl2N3O5S2 — CID 55435294

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide
SMILESCC(=O)c1csc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)n1
InChIInChI=1S/C16H15Cl2N3O5S2/c1-9(22)13-8-27-16(19-13)20-15(23)10-6-14(12(18)7-11(10)17)28(24,25)21-2-4-26-5-3-21/h6-8H,2-5H2,1H3,(H,19,20,23)
InChIKeyFTGJHFHQLKZQME-UHFFFAOYSA-N
MW464.35 g/mol
LogP2.93
Rot. Bonds5

About N-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide

N-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55435294) has the molecular formula C16H15Cl2N3O5S2 and a molecular weight of 464.35 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55435294
Molecular FormulaC16H15Cl2N3O5S2
Molecular Weight464.35 g/mol
Exact Mass462.98
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide
SMILESCC(=O)c1csc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)n1
InChIInChI=1S/C16H15Cl2N3O5S2/c1-9(22)13-8-27-16(19-13)20-15(23)10-6-14(12(18)7-11(10)17)28(24,25)21-2-4-26-5-3-21/h6-8H,2-5H2,1H3,(H,19,20,23)
InChIKeyFTGJHFHQLKZQME-UHFFFAOYSA-N
XLogP2.93
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
N-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 55435497
2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 75394614
2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1087710
2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 71903942
2,4-dichloro-N-(2,3-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 55345927
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3344196
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3368356
2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1087728
2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride
CID 53347329
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26358776
ethyl 5-[(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate
CID 55642526

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide (CID 55435294) is N-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide is CC(=O)c1csc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is FTGJHFHQLKZQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O5S2/c1-9(22)13-8-27-16(19-13)20-15(23)10-6-14(12(18)7-11(10)17)28(24,25)21-2-4-26-5-3-21/h6-8H,2-5H2,1H3,(H,19,20,23).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 464.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55435294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).