N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide

C17H19BrN2O4S — CID 26965710

IUPACN-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C17H19BrN2O4S/c1-11(2)17(21)19-13-5-7-14(8-6-13)20-25(22,23)16-10-12(18)4-9-15(16)24-3/h4-11,20H,1-3H3,(H,19,21)
InChIKeyWYSWXZBWHOLKIU-UHFFFAOYSA-N
MW427.32 g/mol
LogP3.85
Rot. Bonds6

About N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide

N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide (PubChem CID 26965710) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
PubChem CID26965710
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC NameN-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C17H19BrN2O4S/c1-11(2)17(21)19-13-5-7-14(8-6-13)20-25(22,23)16-10-12(18)4-9-15(16)24-3/h4-11,20H,1-3H3,(H,19,21)
InChIKeyWYSWXZBWHOLKIU-UHFFFAOYSA-N
XLogP3.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1299225
methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate
CID 25045124
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide
CID 25342391
5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970310
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504
3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016571
5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
CID 35940097
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312
methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate
CID 25342326
3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide
CID 43002606
5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3866014

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide (CID 26965710) is N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide is COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide?
The InChIKey is WYSWXZBWHOLKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-11(2)17(21)19-13-5-7-14(8-6-13)20-25(22,23)16-10-12(18)4-9-15(16)24-3/h4-11,20H,1-3H3,(H,19,21).
What are the key properties of N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide?
N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide has a molecular weight of 427.32 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 26965710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).