4,5-dichloro-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,2-thiazole-3-carboxamide

C14H11Cl2N3O5S2 — CID 132766939

IUPAC4,5-dichloro-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,2-thiazole-3-carboxamide
SMILESCCC1Oc2ccc(S(=O)(=O)NC(=O)c3nsc(Cl)c3Cl)cc2NC1=O
InChIInChI=1S/C14H11Cl2N3O5S2/c1-2-8-13(20)17-7-5-6(3-4-9(7)24-8)26(22,23)19-14(21)11-10(15)12(16)25-18-11/h3-5,8H,2H2,1H3,(H,17,20)(H,19,21)
InChIKeyNPHJMZIAEUPBMB-UHFFFAOYSA-N
MW436.30 g/mol
LogP2.68
Rot. Bonds4

About 4,5-dichloro-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,2-thiazole-3-carboxamide

4,5-dichloro-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,2-thiazole-3-carboxamide (PubChem CID 132766939) has the molecular formula C14H11Cl2N3O5S2 and a molecular weight of 436.30 g/mol. Its IUPAC name is 4,5-dichloro-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,2-thiazole-3-carboxamide
PubChem CID132766939
Molecular FormulaC14H11Cl2N3O5S2
Molecular Weight436.30 g/mol
Exact Mass434.95
IUPAC Name4,5-dichloro-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,2-thiazole-3-carboxamide
SMILESCCC1Oc2ccc(S(=O)(=O)NC(=O)c3nsc(Cl)c3Cl)cc2NC1=O
InChIInChI=1S/C14H11Cl2N3O5S2/c1-2-8-13(20)17-7-5-6(3-4-9(7)24-8)26(22,23)19-14(21)11-10(15)12(16)25-18-11/h3-5,8H,2H2,1H3,(H,17,20)(H,19,21)
InChIKeyNPHJMZIAEUPBMB-UHFFFAOYSA-N
XLogP2.68
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-4,5-dichloroisothiazole-3-carboxamide
CID 12155611
4,5-dichloro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,2-thiazole-3-carboxamide
CID 129578250
4,5-dichloro-N-[[(2R)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]sulfonyl]-1,2-thiazole-3-carboxamide
CID 129585177
4,5-dichloro-N-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]sulfonyl]-1,2-thiazole-3-carboxamide
CID 129585178

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,2-thiazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,2-thiazole-3-carboxamide (CID 132766939) is 4,5-dichloro-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,2-thiazole-3-carboxamide is CCC1Oc2ccc(S(=O)(=O)NC(=O)c3nsc(Cl)c3Cl)cc2NC1=O.
What is the InChIKey of 4,5-dichloro-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,2-thiazole-3-carboxamide?
The InChIKey is NPHJMZIAEUPBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O5S2/c1-2-8-13(20)17-7-5-6(3-4-9(7)24-8)26(22,23)19-14(21)11-10(15)12(16)25-18-11/h3-5,8H,2H2,1H3,(H,17,20)(H,19,21).
What are the key properties of 4,5-dichloro-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,2-thiazole-3-carboxamide?
4,5-dichloro-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,2-thiazole-3-carboxamide has a molecular weight of 436.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 132766939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).