5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide

C16H17BrN2O5S2 — CID 32741753

IUPAC5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cc(Br)ccc1O
InChIInChI=1S/C16H17BrN2O5S2/c17-11-1-3-14(20)13(9-11)16(21)18-10-12-2-4-15(25-12)26(22,23)19-5-7-24-8-6-19/h1-4,9,20H,5-8,10H2,(H,18,21)
InChIKeyQLEQKJKXFHBTQK-UHFFFAOYSA-N
MW461.36 g/mol
LogP2.17
Rot. Bonds5

About 5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide

5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide (PubChem CID 32741753) has the molecular formula C16H17BrN2O5S2 and a molecular weight of 461.36 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
PubChem CID32741753
Molecular FormulaC16H17BrN2O5S2
Molecular Weight461.36 g/mol
Exact Mass459.98
IUPAC Name5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cc(Br)ccc1O
InChIInChI=1S/C16H17BrN2O5S2/c17-11-1-3-14(20)13(9-11)16(21)18-10-12-2-4-15(25-12)26(22,23)19-5-7-24-8-6-19/h1-4,9,20H,5-8,10H2,(H,18,21)
InChIKeyQLEQKJKXFHBTQK-UHFFFAOYSA-N
XLogP2.17
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 41311320
1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide
CID 55758321
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-bromobenzamide
CID 53112446
5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30505497
5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide
CID 47100697
2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 103600269
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide
CID 32742505
2-(3-chloro-4-methoxyphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 53112407
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide
CID 107729654
5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide
CID 41312007
4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242545

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide (CID 32741753) is 5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide is O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide?
The InChIKey is QLEQKJKXFHBTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O5S2/c17-11-1-3-14(20)13(9-11)16(21)18-10-12-2-4-15(25-12)26(22,23)19-5-7-24-8-6-19/h1-4,9,20H,5-8,10H2,(H,18,21).
What are the key properties of 5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide?
5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide has a molecular weight of 461.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 32741753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).