2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide

C15H15BrN2O4S — CID 166221897

IUPAC2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)Cc2ccc(Br)cc2O)c1
InChIInChI=1S/C15H15BrN2O4S/c16-12-5-4-11(14(19)8-12)7-15(20)18-9-10-2-1-3-13(6-10)23(17,21)22/h1-6,8,19H,7,9H2,(H,18,20)(H2,17,21,22)
InChIKeySXLFDLIFZBACIO-UHFFFAOYSA-N
MW399.27 g/mol
LogP1.66
Rot. Bonds5

About 2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide

2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide (PubChem CID 166221897) has the molecular formula C15H15BrN2O4S and a molecular weight of 399.27 g/mol. Its IUPAC name is 2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide
PubChem CID166221897
Molecular FormulaC15H15BrN2O4S
Molecular Weight399.27 g/mol
Exact Mass397.99
IUPAC Name2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)Cc2ccc(Br)cc2O)c1
InChIInChI=1S/C15H15BrN2O4S/c16-12-5-4-11(14(19)8-12)7-15(20)18-9-10-2-1-3-13(6-10)23(17,21)22/h1-6,8,19H,7,9H2,(H,18,20)(H2,17,21,22)
InChIKeySXLFDLIFZBACIO-UHFFFAOYSA-N
XLogP1.66
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide
CID 55641528
5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide
CID 55852739
2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 52681070
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794
2-[2-oxo-2-[(3-sulfamoylphenyl)methylamino]ethyl]sulfanylacetic acid
CID 104569122
2-(4-bromo-2-hydroxyphenyl)-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide
CID 166195849
4-hydroxy-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 79192761
2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
4-bromo-1-methyl-N-[(3-sulfamoylphenyl)methyl]pyrrole-2-carboxamide
CID 60954543
3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731394
2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 60859149
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 61265020

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide (CID 166221897) is 2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1cccc(CNC(=O)Cc2ccc(Br)cc2O)c1.
What is the InChIKey of 2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide?
The InChIKey is SXLFDLIFZBACIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4S/c16-12-5-4-11(14(19)8-12)7-15(20)18-9-10-2-1-3-13(6-10)23(17,21)22/h1-6,8,19H,7,9H2,(H,18,20)(H2,17,21,22).
What are the key properties of 2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide?
2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide has a molecular weight of 399.27 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 166221897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).