4-bromo-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide

C14H14BrN3O4S2 — CID 1107088

IUPAC4-bromo-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C14H14BrN3O4S2/c15-11-2-1-10(13(19)17-14-16-3-8-23-14)9-12(11)24(20,21)18-4-6-22-7-5-18/h1-3,8-9H,4-7H2,(H,16,17,19)
InChIKeyKZBUMIMZCQAOJI-UHFFFAOYSA-N
MW432.32 g/mol
LogP2.18
Rot. Bonds4

About 4-bromo-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide

4-bromo-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 1107088) has the molecular formula C14H14BrN3O4S2 and a molecular weight of 432.32 g/mol. Its IUPAC name is 4-bromo-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID1107088
Molecular FormulaC14H14BrN3O4S2
Molecular Weight432.32 g/mol
Exact Mass430.96
IUPAC Name4-bromo-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C14H14BrN3O4S2/c15-11-2-1-10(13(19)17-14-16-3-8-23-14)9-12(11)24(20,21)18-4-6-22-7-5-18/h1-3,8-9H,4-7H2,(H,16,17,19)
InChIKeyKZBUMIMZCQAOJI-UHFFFAOYSA-N
XLogP2.18
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (CID 1107088) is 4-bromo-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-bromo-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is KZBUMIMZCQAOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O4S2/c15-11-2-1-10(13(19)17-14-16-3-8-23-14)9-12(11)24(20,21)18-4-6-22-7-5-18/h1-3,8-9H,4-7H2,(H,16,17,19).
What are the key properties of 4-bromo-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
4-bromo-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 432.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1107088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).